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Organofluorides

Organic compounds that contain one or more fluorine atoms.

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1

2-(Trifluoromethyl)pyrazine, 97%

CAS: 61655-67-2 Molecular Formula: C5H3F3N2 Molecular Weight (g/mol): 148.088 MDL Number: MFCD06797734 InChI Key: CEAMSISEJZMQEP-UHFFFAOYSA-N Synonym: 2-trifluoromethyl pyrazine,2-trifluoromethyl-pyrazine,pyrazine, trifluoromethyl,trifluoromethylpyrazine,pyrazine, 2-trifluoromethyl PubChem CID: 17888936 IUPAC Name: 2-(trifluoromethyl)pyrazine SMILES: C1=CN=C(C=N1)C(F)(F)F

PubChem CID 17888936
CAS 61655-67-2
Molecular Weight (g/mol) 148.088
MDL Number MFCD06797734
SMILES C1=CN=C(C=N1)C(F)(F)F
Synonym 2-trifluoromethyl pyrazine,2-trifluoromethyl-pyrazine,pyrazine, trifluoromethyl,trifluoromethylpyrazine,pyrazine, 2-trifluoromethyl
IUPAC Name 2-(trifluoromethyl)pyrazine
InChI Key CEAMSISEJZMQEP-UHFFFAOYSA-N
Molecular Formula C5H3F3N2
2

2-(Trifluoromethyl)acrylic acid, 98%

CAS: 381-98-6 Molecular Formula: C4H2F3O2 Molecular Weight (g/mol): 139.05 MDL Number: MFCD00042424 InChI Key: VLSRKCIBHNJFHA-UHFFFAOYSA-M Synonym: 2-trifluoromethyl acrylic acid,2-trifluoromethyl propenoic acid,2-trifluoromethyl prop-2-enoic acid,tfmaa,trifluoromethacrylic acid,trifluoromethylacrylic acid,2-trifluoromethylacrylic acid,2-trifluoromethyl-acrylic acid,2-propenoic acid, 2-trifluoromethyl,pubchem22654 PubChem CID: 587694 SMILES: [O-]C(=O)C(=C)C(F)(F)F

PubChem CID 587694
CAS 381-98-6
Molecular Weight (g/mol) 139.05
MDL Number MFCD00042424
SMILES [O-]C(=O)C(=C)C(F)(F)F
Synonym 2-trifluoromethyl acrylic acid,2-trifluoromethyl propenoic acid,2-trifluoromethyl prop-2-enoic acid,tfmaa,trifluoromethacrylic acid,trifluoromethylacrylic acid,2-trifluoromethylacrylic acid,2-trifluoromethyl-acrylic acid,2-propenoic acid, 2-trifluoromethyl,pubchem22654
InChI Key VLSRKCIBHNJFHA-UHFFFAOYSA-M
Molecular Formula C4H2F3O2
3

4,4,4-Trifluoro-2-butanone, 97%

CAS: 2366-70-3 Molecular Formula: C4H5F3O Molecular Weight (g/mol): 126.078 MDL Number: MFCD00077601 InChI Key: BTXXTMOWISPQSJ-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-2-butanone,2-butanone, 4,4,4-trifluoro,trifluoromethylacetone,trifluoromethyl acetone,acmc-1cb0f,3-oxo-1,1,1-trifluorobutane PubChem CID: 539001 IUPAC Name: 4,4,4-trifluorobutan-2-one SMILES: CC(=O)CC(F)(F)F

PubChem CID 539001
CAS 2366-70-3
Molecular Weight (g/mol) 126.078
MDL Number MFCD00077601
SMILES CC(=O)CC(F)(F)F
Synonym 4,4,4-trifluoro-2-butanone,2-butanone, 4,4,4-trifluoro,trifluoromethylacetone,trifluoromethyl acetone,acmc-1cb0f,3-oxo-1,1,1-trifluorobutane
IUPAC Name 4,4,4-trifluorobutan-2-one
InChI Key BTXXTMOWISPQSJ-UHFFFAOYSA-N
Molecular Formula C4H5F3O
4

2-Cyano-5-(trifluoromethyl)pyridine, 98%

CAS: 95727-86-9 Molecular Formula: C7H3F3N2 Molecular Weight (g/mol): 172.11 MDL Number: MFCD01001119 InChI Key: WDSCJULUXJSJOX-UHFFFAOYSA-N Synonym: 5-trifluoromethyl picolinonitrile,5-trifluoromethyl pyridine-2-carbonitrile,2-cyano-5-trifluoromethyl pyridine,2-cyano-5-trifluoromethylpyridine,5-trifluoromethyl-2-pyridinecarbonitrile,5-trifluoromethyl-pyridine-2-carbonitrile,2-pyridinecarbonitrile, 5-trifluoromethyl,pubchem17518,5-trifluoromethyl ;picolinonitrile,2-cyano-5-trifluoromethyl pyridine, 5-trifluoromethyl picolinonitrile PubChem CID: 1535372 IUPAC Name: 5-(trifluoromethyl)pyridine-2-carbonitrile SMILES: FC(F)(F)C1=CN=C(C=C1)C#N

PubChem CID 1535372
CAS 95727-86-9
Molecular Weight (g/mol) 172.11
MDL Number MFCD01001119
SMILES FC(F)(F)C1=CN=C(C=C1)C#N
Synonym 5-trifluoromethyl picolinonitrile,5-trifluoromethyl pyridine-2-carbonitrile,2-cyano-5-trifluoromethyl pyridine,2-cyano-5-trifluoromethylpyridine,5-trifluoromethyl-2-pyridinecarbonitrile,5-trifluoromethyl-pyridine-2-carbonitrile,2-pyridinecarbonitrile, 5-trifluoromethyl,pubchem17518,5-trifluoromethyl ;picolinonitrile,2-cyano-5-trifluoromethyl pyridine, 5-trifluoromethyl picolinonitrile
IUPAC Name 5-(trifluoromethyl)pyridine-2-carbonitrile
InChI Key WDSCJULUXJSJOX-UHFFFAOYSA-N
Molecular Formula C7H3F3N2
5

2-Amino-6-(trifluoromethoxy)benzothiazole, 98%

CAS: 1744-22-5 Molecular Formula: C8H5F3N2OS Molecular Weight (g/mol): 234.196 MDL Number: MFCD00210213 InChI Key: FTALBRSUTCGOEG-UHFFFAOYSA-N Synonym: riluzole,rilutek,2-amino-6-trifluoromethoxy benzothiazole,6-trifluoromethoxy benzo d thiazol-2-amine,6-trifluoromethoxy-1,3-benzothiazol-2-amine,riluzolum,riluzol,2-amino-6-trifluoromethoxybenzothiazole,riluzole hcl,riluzol inn-spanish PubChem CID: 5070 ChEBI: CHEBI:8863 IUPAC Name: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine SMILES: C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N

PubChem CID 5070
CAS 1744-22-5
Molecular Weight (g/mol) 234.196
ChEBI CHEBI:8863
MDL Number MFCD00210213
SMILES C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N
Synonym riluzole,rilutek,2-amino-6-trifluoromethoxy benzothiazole,6-trifluoromethoxy benzo d thiazol-2-amine,6-trifluoromethoxy-1,3-benzothiazol-2-amine,riluzolum,riluzol,2-amino-6-trifluoromethoxybenzothiazole,riluzole hcl,riluzol inn-spanish
IUPAC Name 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
InChI Key FTALBRSUTCGOEG-UHFFFAOYSA-N
Molecular Formula C8H5F3N2OS
6

2-(Trifluoromethyl)acrylic acid, 98%

CAS: 381-98-6 Molecular Formula: C4H2F3O2 Molecular Weight (g/mol): 139.05 MDL Number: MFCD00042424 InChI Key: VLSRKCIBHNJFHA-UHFFFAOYSA-M Synonym: 2-trifluoromethyl acrylic acid,2-trifluoromethyl propenoic acid,2-trifluoromethyl prop-2-enoic acid,tfmaa,trifluoromethacrylic acid,trifluoromethylacrylic acid,2-trifluoromethylacrylic acid,2-trifluoromethyl-acrylic acid,2-propenoic acid, 2-trifluoromethyl,pubchem22654 PubChem CID: 587694 IUPAC Name: 2-(trifluoromethyl)prop-2-enoic acid SMILES: [O-]C(=O)C(=C)C(F)(F)F

PubChem CID 587694
CAS 381-98-6
Molecular Weight (g/mol) 139.05
MDL Number MFCD00042424
SMILES [O-]C(=O)C(=C)C(F)(F)F
Synonym 2-trifluoromethyl acrylic acid,2-trifluoromethyl propenoic acid,2-trifluoromethyl prop-2-enoic acid,tfmaa,trifluoromethacrylic acid,trifluoromethylacrylic acid,2-trifluoromethylacrylic acid,2-trifluoromethyl-acrylic acid,2-propenoic acid, 2-trifluoromethyl,pubchem22654
IUPAC Name 2-(trifluoromethyl)prop-2-enoic acid
InChI Key VLSRKCIBHNJFHA-UHFFFAOYSA-M
Molecular Formula C4H2F3O2
7

1-Chloroacetyl-2-(trifluoroacetyl)hydrazine, 97%

CAS: 762240-99-3 Molecular Formula: C4H4ClF3N2O2 Molecular Weight (g/mol): 204.53 MDL Number: MFCD07779449 InChI Key: DYKIVKLXFDNBMY-UHFFFAOYSA-N Synonym: 1-chloroacetyl-2-trifluoroacetyl hydrazine,n'-2-chloroacetyl-2,2,2-trifluoroacetohydrazide,n'-chloroacetyl-2,2,2-trifluoroacetohydrazide,acetic acid, 2,2,2-trifluoro-, 2-2-chloroacetyl hydrazide,2-chloro-n'-2,2,2-trifluoroacetyl acetohydrazide,n'-2-chloroacetyl-trifluoroacetohydrazide,1-trifluoroacetyl-2-chloroacetyl hydrazine,2-chloro-n'-trifluoroacetyl acetohydrazide,acetic acid, trifluoro-, 2-chloroacetyl hydrazide PubChem CID: 11961370 IUPAC Name: N'-(2-chloroacetyl)-2,2,2-trifluoroacetohydrazide SMILES: FC(F)(F)C(=O)NNC(=O)CCl

PubChem CID 11961370
CAS 762240-99-3
Molecular Weight (g/mol) 204.53
MDL Number MFCD07779449
SMILES FC(F)(F)C(=O)NNC(=O)CCl
Synonym 1-chloroacetyl-2-trifluoroacetyl hydrazine,n'-2-chloroacetyl-2,2,2-trifluoroacetohydrazide,n'-chloroacetyl-2,2,2-trifluoroacetohydrazide,acetic acid, 2,2,2-trifluoro-, 2-2-chloroacetyl hydrazide,2-chloro-n'-2,2,2-trifluoroacetyl acetohydrazide,n'-2-chloroacetyl-trifluoroacetohydrazide,1-trifluoroacetyl-2-chloroacetyl hydrazine,2-chloro-n'-trifluoroacetyl acetohydrazide,acetic acid, trifluoro-, 2-chloroacetyl hydrazide
IUPAC Name N'-(2-chloroacetyl)-2,2,2-trifluoroacetohydrazide
InChI Key DYKIVKLXFDNBMY-UHFFFAOYSA-N
Molecular Formula C4H4ClF3N2O2
8

2-(Trifluoromethyl)pyridine, 97%, Thermo Scientific™

CAS: 368-48-9 Molecular Formula: C6H4F3N Molecular Weight (g/mol): 147.10 MDL Number: MFCD02183562 InChI Key: ATRQECRSCHYSNP-UHFFFAOYSA-N Synonym: 2-trifluoromethyl pyridine,2-trifluoromethyl-pyridine,trifluoromethylpyridine,2-1,1,1-trifluoromethyl pyridine,pyridine, trifluoromethyl,alpha,alpha,alpha-trifluoro-2-picoline,2-cf3-pyridine,trifluoromethyl pyridine PubChem CID: 136199 IUPAC Name: 2-(trifluoromethyl)pyridine SMILES: FC(F)(F)C1=CC=CC=N1

PubChem CID 136199
CAS 368-48-9
Molecular Weight (g/mol) 147.10
MDL Number MFCD02183562
SMILES FC(F)(F)C1=CC=CC=N1
Synonym 2-trifluoromethyl pyridine,2-trifluoromethyl-pyridine,trifluoromethylpyridine,2-1,1,1-trifluoromethyl pyridine,pyridine, trifluoromethyl,alpha,alpha,alpha-trifluoro-2-picoline,2-cf3-pyridine,trifluoromethyl pyridine
IUPAC Name 2-(trifluoromethyl)pyridine
InChI Key ATRQECRSCHYSNP-UHFFFAOYSA-N
Molecular Formula C6H4F3N
9

2-Chloro-1,1,2-trifluoroethyl difluoromethyl ether, 97%

CAS: 13838-16-9 Molecular Formula: C3H2ClF5O Molecular Weight (g/mol): 184.49 MDL Number: MFCD00069095 InChI Key: JPGQOUSTVILISH-UHFFFAOYNA-N Synonym: enflurane,methylflurether,efrane,ethrane,2-chloro-1-difluoromethoxy-1,1,2-trifluoroethane,alyrane,anesthetic 347,2-chloro-1,1,2-trifluoroethyl difluoromethyl ether,compound 347,anesthetic compound no. 347 PubChem CID: 3226 ChEBI: CHEBI:4792 IUPAC Name: 2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane SMILES: FC(F)OC(F)(F)C(F)Cl

PubChem CID 3226
CAS 13838-16-9
Molecular Weight (g/mol) 184.49
ChEBI CHEBI:4792
MDL Number MFCD00069095
SMILES FC(F)OC(F)(F)C(F)Cl
Synonym enflurane,methylflurether,efrane,ethrane,2-chloro-1-difluoromethoxy-1,1,2-trifluoroethane,alyrane,anesthetic 347,2-chloro-1,1,2-trifluoroethyl difluoromethyl ether,compound 347,anesthetic compound no. 347
IUPAC Name 2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane
InChI Key JPGQOUSTVILISH-UHFFFAOYNA-N
Molecular Formula C3H2ClF5O
10

5-(Trifluoromethyl)pyridine-2-carboxylic acid, 95%

CAS: 80194-69-0 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.109 MDL Number: MFCD04113632 InChI Key: NJHGVAYLDHROPT-UHFFFAOYSA-N Synonym: 5-trifluoromethyl pyridine-2-carboxylic acid,5-trifluoromethyl picolinic acid,5-trifluoromethyl-2-pyridinecarboxylic acid,5-trifluoromethyl-pyridine-2-carboxylic acid,2-pyridinecarboxylic acid, 5-trifluoromethyl,5-trifluoromethyl pyridine-2-carboxylicacid,pubchem15164,acmc-209pj2 PubChem CID: 10910349 IUPAC Name: 5-(trifluoromethyl)pyridine-2-carboxylic acid SMILES: C1=CC(=NC=C1C(F)(F)F)C(=O)O

PubChem CID 10910349
CAS 80194-69-0
Molecular Weight (g/mol) 191.109
MDL Number MFCD04113632
SMILES C1=CC(=NC=C1C(F)(F)F)C(=O)O
Synonym 5-trifluoromethyl pyridine-2-carboxylic acid,5-trifluoromethyl picolinic acid,5-trifluoromethyl-2-pyridinecarboxylic acid,5-trifluoromethyl-pyridine-2-carboxylic acid,2-pyridinecarboxylic acid, 5-trifluoromethyl,5-trifluoromethyl pyridine-2-carboxylicacid,pubchem15164,acmc-209pj2
IUPAC Name 5-(trifluoromethyl)pyridine-2-carboxylic acid
InChI Key NJHGVAYLDHROPT-UHFFFAOYSA-N
Molecular Formula C7H4F3NO2
11

2-Amino-6-(trifluoromethyl)benzothiazole, 97+%

CAS: 777-12-8 Molecular Formula: C8H5F3N2S Molecular Weight (g/mol): 218.197 MDL Number: MFCD00269597 InChI Key: WEDYEBJLWMPPOK-UHFFFAOYSA-N Synonym: 2-amino-6-trifluoromethyl benzothiazole,6-trifluoromethyl benzo d thiazol-2-amine,6-trifluoromethyl-1,3-benzothiazol-2-amine,2-amino-6-trifluoromethyl-1,3-benzothiazole,2-amino-6-trifluoromethylbenzothiazole,6-trifluoromethyl-benzothiazol-2-ylamine,2-benzothiazolamine, 6-trifluoromethyl,2-amino-6-trifluoromethyl-1,3-benzothiazol,6-trifluoromethyl-1,3-benzothiazol-2-ylamine,6-trifluoromethyl benzothiazole-2-ylamine PubChem CID: 2735955 IUPAC Name: 6-(trifluoromethyl)-1,3-benzothiazol-2-amine SMILES: C1=CC2=C(C=C1C(F)(F)F)SC(=N2)N

PubChem CID 2735955
CAS 777-12-8
Molecular Weight (g/mol) 218.197
MDL Number MFCD00269597
SMILES C1=CC2=C(C=C1C(F)(F)F)SC(=N2)N
Synonym 2-amino-6-trifluoromethyl benzothiazole,6-trifluoromethyl benzo d thiazol-2-amine,6-trifluoromethyl-1,3-benzothiazol-2-amine,2-amino-6-trifluoromethyl-1,3-benzothiazole,2-amino-6-trifluoromethylbenzothiazole,6-trifluoromethyl-benzothiazol-2-ylamine,2-benzothiazolamine, 6-trifluoromethyl,2-amino-6-trifluoromethyl-1,3-benzothiazol,6-trifluoromethyl-1,3-benzothiazol-2-ylamine,6-trifluoromethyl benzothiazole-2-ylamine
IUPAC Name 6-(trifluoromethyl)-1,3-benzothiazol-2-amine
InChI Key WEDYEBJLWMPPOK-UHFFFAOYSA-N
Molecular Formula C8H5F3N2S
12

2-Hydrazino-4-(trifluoromethyl)pyrimidine, 97%

CAS: 197305-97-8 Molecular Formula: C5H5F3N4 Molecular Weight (g/mol): 178.118 MDL Number: MFCD00115112 InChI Key: XQCAINVUBSAUBJ-UHFFFAOYSA-N Synonym: 2-hydrazino-4-trifluoromethyl pyrimidine,2-hydrazinyl-4-trifluoromethyl pyrimidine,4-trifluoromethyl pyrimidin-2-ylhydrazine,n-4-trifluoromethyl pyrimidin-2-yl hydrazine,4-trifluoromethyl pyrimidin-2-yl hydrazine,1-4-trifluoromethyl pyrimidin-2-yl hydrazine,2 1h-pyrimidinone, 4-trifluoromethyl-, hydrazone,buttpark 27\08-68,ksc498g6p,2-hydrazino-4-trifluoromethylpyrimidine PubChem CID: 1268079 IUPAC Name: [4-(trifluoromethyl)pyrimidin-2-yl]hydrazine SMILES: C1=CN=C(N=C1C(F)(F)F)NN

PubChem CID 1268079
CAS 197305-97-8
Molecular Weight (g/mol) 178.118
MDL Number MFCD00115112
SMILES C1=CN=C(N=C1C(F)(F)F)NN
Synonym 2-hydrazino-4-trifluoromethyl pyrimidine,2-hydrazinyl-4-trifluoromethyl pyrimidine,4-trifluoromethyl pyrimidin-2-ylhydrazine,n-4-trifluoromethyl pyrimidin-2-yl hydrazine,4-trifluoromethyl pyrimidin-2-yl hydrazine,1-4-trifluoromethyl pyrimidin-2-yl hydrazine,2 1h-pyrimidinone, 4-trifluoromethyl-, hydrazone,buttpark 27\08-68,ksc498g6p,2-hydrazino-4-trifluoromethylpyrimidine
IUPAC Name [4-(trifluoromethyl)pyrimidin-2-yl]hydrazine
InChI Key XQCAINVUBSAUBJ-UHFFFAOYSA-N
Molecular Formula C5H5F3N4
13

2-(Trifluoromethyl)-1H-indole, 97%, Thermo Scientific™

CAS: 51310-54-4 Molecular Formula: C9H6F3N Molecular Weight (g/mol): 185.15 InChI Key: QFHVHZJGQWMBTE-UHFFFAOYSA-N Synonym: 2-trifluoromethyl-1h-indole,2-trifluoromethylindole,1h-indole, 2-trifluoromethyl,pubchem23796,2-trifluoromethyl indole PubChem CID: 10932124 IUPAC Name: 2-(trifluoromethyl)-1H-indole SMILES: C1=CC=C2C(=C1)C=C(N2)C(F)(F)F

PubChem CID 10932124
CAS 51310-54-4
Molecular Weight (g/mol) 185.15
SMILES C1=CC=C2C(=C1)C=C(N2)C(F)(F)F
Synonym 2-trifluoromethyl-1h-indole,2-trifluoromethylindole,1h-indole, 2-trifluoromethyl,pubchem23796,2-trifluoromethyl indole
IUPAC Name 2-(trifluoromethyl)-1H-indole
InChI Key QFHVHZJGQWMBTE-UHFFFAOYSA-N
Molecular Formula C9H6F3N
14

2-(Trifluoromethyl)pyridine, 99%, Thermo Scientific Chemicals

CAS: 368-48-9 Molecular Formula: C6H4F3N Molecular Weight (g/mol): 147.10 MDL Number: MFCD02183562 InChI Key: ATRQECRSCHYSNP-UHFFFAOYSA-N Synonym: 2-trifluoromethyl pyridine,2-trifluoromethyl-pyridine,trifluoromethylpyridine,2-1,1,1-trifluoromethyl pyridine,pyridine, trifluoromethyl,alpha,alpha,alpha-trifluoro-2-picoline,2-cf3-pyridine,trifluoromethyl pyridine PubChem CID: 136199 IUPAC Name: 2-(trifluoromethyl)pyridine SMILES: FC(F)(F)C1=CC=CC=N1

PubChem CID 136199
CAS 368-48-9
Molecular Weight (g/mol) 147.10
MDL Number MFCD02183562
SMILES FC(F)(F)C1=CC=CC=N1
Synonym 2-trifluoromethyl pyridine,2-trifluoromethyl-pyridine,trifluoromethylpyridine,2-1,1,1-trifluoromethyl pyridine,pyridine, trifluoromethyl,alpha,alpha,alpha-trifluoro-2-picoline,2-cf3-pyridine,trifluoromethyl pyridine
IUPAC Name 2-(trifluoromethyl)pyridine
InChI Key ATRQECRSCHYSNP-UHFFFAOYSA-N
Molecular Formula C6H4F3N
15

2-(Trifluoromethyl)pyrazine, 97%, Thermo Scientific™

CAS: 61655-67-2 Molecular Formula: C5H3F3N2 Molecular Weight (g/mol): 148.09 MDL Number: MFCD06797734 InChI Key: CEAMSISEJZMQEP-UHFFFAOYSA-N Synonym: 2-trifluoromethyl pyrazine,2-trifluoromethyl-pyrazine,pyrazine, trifluoromethyl,trifluoromethylpyrazine,pyrazine, 2-trifluoromethyl PubChem CID: 17888936 IUPAC Name: 2-(trifluoromethyl)pyrazine SMILES: C1=CN=C(C=N1)C(F)(F)F

PubChem CID 17888936
CAS 61655-67-2
Molecular Weight (g/mol) 148.09
MDL Number MFCD06797734
SMILES C1=CN=C(C=N1)C(F)(F)F
Synonym 2-trifluoromethyl pyrazine,2-trifluoromethyl-pyrazine,pyrazine, trifluoromethyl,trifluoromethylpyrazine,pyrazine, 2-trifluoromethyl
IUPAC Name 2-(trifluoromethyl)pyrazine
InChI Key CEAMSISEJZMQEP-UHFFFAOYSA-N
Molecular Formula C5H3F3N2