Organofluorides

Organic compounds that contain one or more fluorine atoms.

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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

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Specifications

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

Perfluorodecalin, 90%, mixture of cis and trans, Thermo Scientific Chemicals

CAS: 306-94-5 Molecular Formula: C₁₀F₁₈ Molecular Weight (g/mol): 462.08 MDL Number: MFCD00010626 InChI Key: UWEYRJFJVCLAGH-UHFFFAOYSA-N Synonym: perfluorodecalin,perflunafene,octadecafluorodecahydronaphthalene,cis-perfluorodecalin,trans-perfluorodecalin,perfluorodecahydronaphthalene,naphthalene, octadecafluorodecahydro,f-dc,pp 5,perflunafenum latin PubChem CID: 9386 ChEBI: CHEBI:38848 IUPAC Name: 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene SMILES: C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F

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Specifications

PubChem CID	9386
CAS	306-94-5
Molecular Weight (g/mol)	462.08
ChEBI	CHEBI:38848
MDL Number	MFCD00010626
SMILES	C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F
Synonym	perfluorodecalin,perflunafene,octadecafluorodecahydronaphthalene,cis-perfluorodecalin,trans-perfluorodecalin,perfluorodecahydronaphthalene,naphthalene, octadecafluorodecahydro,f-dc,pp 5,perflunafenum latin
IUPAC Name	1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene
InChI Key	UWEYRJFJVCLAGH-UHFFFAOYSA-N
Molecular Formula	C₁₀F₁₈

2,2,3,3,4,4,4-Heptafluorobutyraldehyde hydrate, tech.

CAS: 375-02-0 Molecular Formula: C4HF7O Molecular Weight (g/mol): 198.04 MDL Number: MFCD00039731 InChI Key: IQJZGNJYXIIMGP-UHFFFAOYSA-N Synonym: heptafluorobutyraldehyde,butanal, heptafluoro,butyraldehyde, heptafluoro,heptafluorobutyraldehyde, tech.,perfluorobutanal,perfluorobutyraldehyde,c3f7cho,heptafluoro-n-butyraldehyde,butanal,2,2,3,3,4,4,4-heptafluoro PubChem CID: 67809 IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutanal SMILES: FC(F)(F)C(F)(F)C(F)(F)C=O

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Specifications

PubChem CID	67809
CAS	375-02-0
Molecular Weight (g/mol)	198.04
MDL Number	MFCD00039731
SMILES	FC(F)(F)C(F)(F)C(F)(F)C=O
Synonym	heptafluorobutyraldehyde,butanal, heptafluoro,butyraldehyde, heptafluoro,heptafluorobutyraldehyde, tech.,perfluorobutanal,perfluorobutyraldehyde,c3f7cho,heptafluoro-n-butyraldehyde,butanal,2,2,3,3,4,4,4-heptafluoro
IUPAC Name	2,2,3,3,4,4,4-heptafluorobutanal
InChI Key	IQJZGNJYXIIMGP-UHFFFAOYSA-N
Molecular Formula	C4HF7O

Perfluoro(decahydronaphthalene), cis + trans, 95%, Thermo Scientific Chemicals

CAS: 306-94-5 Molecular Formula: C10F18 Molecular Weight (g/mol): 462.081 MDL Number: MFCD00010626 InChI Key: UWEYRJFJVCLAGH-UHFFFAOYSA-N Synonym: perfluorodecalin,perflunafene,octadecafluorodecahydronaphthalene,cis-perfluorodecalin,trans-perfluorodecalin,perfluorodecahydronaphthalene,naphthalene, octadecafluorodecahydro,f-dc,pp 5,perflunafenum latin PubChem CID: 9386 ChEBI: CHEBI:38848 IUPAC Name: 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene SMILES: C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F

Pricing and Availability
Specifications

PubChem CID	9386
CAS	306-94-5
Molecular Weight (g/mol)	462.081
ChEBI	CHEBI:38848
MDL Number	MFCD00010626
SMILES	C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F
Synonym	perfluorodecalin,perflunafene,octadecafluorodecahydronaphthalene,cis-perfluorodecalin,trans-perfluorodecalin,perfluorodecahydronaphthalene,naphthalene, octadecafluorodecahydro,f-dc,pp 5,perflunafenum latin
IUPAC Name	1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene
InChI Key	UWEYRJFJVCLAGH-UHFFFAOYSA-N
Molecular Formula	C10F18

Riluzole, 98%

CAS: 1744-22-5 Molecular Formula: C₈H₅F₃N₂OS Molecular Weight (g/mol): 234.2 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

Pricing and Availability
Specifications

PubChem CID	5070
CAS	1744-22-5
Molecular Weight (g/mol)	234.2
ChEBI	CHEBI:8863
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

1-Phenyl-3-trifluoromethyl-2-pyrazolin-5-one, 98%

CAS: 321-07-3 Molecular Formula: C10H7F3N2O Molecular Weight (g/mol): 228.174 MDL Number: MFCD00051655 InChI Key: GLGRRRKQSFURGD-UHFFFAOYSA-N Synonym: 1-phenyl-3-trifluoromethyl-2-pyrazolin-5-one,1-phenyl-3-trifluoromethyl-1h-pyrazol-5 4h-one,2-phenyl-5-trifluoromethyl-4h-pyrazol-3-one,2-phenyl-5-trifluoromethyl-2,4-dihydro-3h-pyrazol-3-one,1-phenyl-3-trifluoromethyl-4,5-dihydro-1h-pyrazol-5-one,maybridge4_000200,acmc-1ai73,1-phenyl-3-trifluoromethyl-2-pyrazoline-5-one,2-phenyl-5-trifluoromethyl-2,4-dihydro-pyrazol-3-one PubChem CID: 668302 IUPAC Name: 2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one SMILES: C1C(=NN(C1=O)C2=CC=CC=C2)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	668302
CAS	321-07-3
Molecular Weight (g/mol)	228.174
MDL Number	MFCD00051655
SMILES	C1C(=NN(C1=O)C2=CC=CC=C2)C(F)(F)F
Synonym	1-phenyl-3-trifluoromethyl-2-pyrazolin-5-one,1-phenyl-3-trifluoromethyl-1h-pyrazol-5 4h-one,2-phenyl-5-trifluoromethyl-4h-pyrazol-3-one,2-phenyl-5-trifluoromethyl-2,4-dihydro-3h-pyrazol-3-one,1-phenyl-3-trifluoromethyl-4,5-dihydro-1h-pyrazol-5-one,maybridge4_000200,acmc-1ai73,1-phenyl-3-trifluoromethyl-2-pyrazoline-5-one,2-phenyl-5-trifluoromethyl-2,4-dihydro-pyrazol-3-one
IUPAC Name	2-phenyl-5-(trifluoromethyl)-4H-pyrazol-3-one
InChI Key	GLGRRRKQSFURGD-UHFFFAOYSA-N
Molecular Formula	C10H7F3N2O

3,3,3-Trifluoro-2,2-dimethylpropionic acid, 97%

CAS: 889940-13-0 Molecular Formula: C5H7F3O2 Molecular Weight (g/mol): 156.104 MDL Number: MFCD08445819 InChI Key: VMFSJVUPIXOCFO-UHFFFAOYSA-N Synonym: 3,3,3-trifluoro-2,2-dimethylpropionic acid,2-trifluoromethyl-2-methylpropanoic acid,3,3,3-trifluoro-2,2-dimethyl-propionic acid,2-trifluoromethyl-isobutyric acid,3,3,3-trifluoro-2,2-dimethyl-propanoic acid PubChem CID: 19867367 IUPAC Name: 3,3,3-trifluoro-2,2-dimethylpropanoic acid SMILES: CC(C)(C(=O)O)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	19867367
CAS	889940-13-0
Molecular Weight (g/mol)	156.104
MDL Number	MFCD08445819
SMILES	CC(C)(C(=O)O)C(F)(F)F
Synonym	3,3,3-trifluoro-2,2-dimethylpropionic acid,2-trifluoromethyl-2-methylpropanoic acid,3,3,3-trifluoro-2,2-dimethyl-propionic acid,2-trifluoromethyl-isobutyric acid,3,3,3-trifluoro-2,2-dimethyl-propanoic acid
IUPAC Name	3,3,3-trifluoro-2,2-dimethylpropanoic acid
InChI Key	VMFSJVUPIXOCFO-UHFFFAOYSA-N
Molecular Formula	C5H7F3O2

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

CAS: 26675-46-7 Molecular Formula: C3H2ClF5O Molecular Weight (g/mol): 184.49 MDL Number: MFCD00066609 InChI Key: PIWKPBJCKXDKJR-UHFFFAOYNA-N Synonym: isoflurane,forane,1-chloro-2,2,2-trifluoroethyl difluoromethyl ether,forene,aerrane,isoflurano,isofluranum,isoflo,compound 469,2-chloro-2-difluoromethoxy-1,1,1-trifluoroethane PubChem CID: 3763 ChEBI: CHEBI:6015 IUPAC Name: 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane SMILES: FC(F)OC(Cl)C(F)(F)F

Pricing and Availability
Specifications

PubChem CID	3763
CAS	26675-46-7
Molecular Weight (g/mol)	184.49
ChEBI	CHEBI:6015
MDL Number	MFCD00066609
SMILES	FC(F)OC(Cl)C(F)(F)F
Synonym	isoflurane,forane,1-chloro-2,2,2-trifluoroethyl difluoromethyl ether,forene,aerrane,isoflurano,isofluranum,isoflo,compound 469,2-chloro-2-difluoromethoxy-1,1,1-trifluoroethane
IUPAC Name	2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
InChI Key	PIWKPBJCKXDKJR-UHFFFAOYNA-N
Molecular Formula	C3H2ClF5O

1,2-Dibromohexafluoropropane, 95%

CAS: 661-95-0 Molecular Formula: C3Br2F6 Molecular Weight (g/mol): 309.83 MDL Number: MFCD00013568 InChI Key: KTULQNFKNLFOHL-UHFFFAOYNA-N Synonym: 1,2-dibromohexafluoropropane,propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro PubChem CID: 69579 IUPAC Name: 1,2-dibromo-1,1,2,3,3,3-hexafluoropropane SMILES: FC(F)(F)C(F)(Br)C(F)(F)Br

Pricing and Availability
Specifications

PubChem CID	69579
CAS	661-95-0
Molecular Weight (g/mol)	309.83
MDL Number	MFCD00013568
SMILES	FC(F)(F)C(F)(Br)C(F)(F)Br
Synonym	1,2-dibromohexafluoropropane,propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro
IUPAC Name	1,2-dibromo-1,1,2,3,3,3-hexafluoropropane
InChI Key	KTULQNFKNLFOHL-UHFFFAOYNA-N
Molecular Formula	C3Br2F6

4,4,4-Trifluorobutylamine, 97%

CAS: 819-46-5 Molecular Formula: C₄H₈F₃N Molecular Weight (g/mol): 127.11 InChI Key: LAXWLCVPJLBABV-UHFFFAOYSA-N PubChem CID: 136645 IUPAC Name: 4,4,4-trifluorobutan-1-amine SMILES: C(CC(F)(F)F)CN

Pricing and Availability
Specifications

PubChem CID	136645
CAS	819-46-5
Molecular Weight (g/mol)	127.11
SMILES	C(CC(F)(F)F)CN
IUPAC Name	4,4,4-trifluorobutan-1-amine
InChI Key	LAXWLCVPJLBABV-UHFFFAOYSA-N
Molecular Formula	C₄H₈F₃N

1,5-Dibromo-1,1,3,3,5,5-hexafluoropentane, 97%

CAS: 371-83-5 Molecular Formula: C5H4Br2F6 Molecular Weight (g/mol): 337.89 MDL Number: MFCD00236657 InChI Key: XYMBGGTVDWPIBA-UHFFFAOYSA-N Synonym: pentane,1,5-dibromo-1,1,3,3,5,5-hexafluoro,1,5-dibromo-1,1,3,3,5,5-hexafluoropentane PubChem CID: 2736777 IUPAC Name: 1,5-dibromo-1,1,3,3,5,5-hexafluoropentane SMILES: FC(F)(Br)CC(F)(F)CC(F)(F)Br

Pricing and Availability
Specifications

PubChem CID	2736777
CAS	371-83-5
Molecular Weight (g/mol)	337.89
MDL Number	MFCD00236657
SMILES	FC(F)(Br)CC(F)(F)CC(F)(F)Br
Synonym	pentane,1,5-dibromo-1,1,3,3,5,5-hexafluoro,1,5-dibromo-1,1,3,3,5,5-hexafluoropentane
IUPAC Name	1,5-dibromo-1,1,3,3,5,5-hexafluoropentane
InChI Key	XYMBGGTVDWPIBA-UHFFFAOYSA-N
Molecular Formula	C5H4Br2F6

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

Pricing and Availability
Specifications

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

1H,1H,2H-Perfluoro-1-dodecene, 97%

CAS: 30389-25-4 Molecular Formula: C12H3F21 Molecular Weight (g/mol): 546.122 MDL Number: MFCD00042346 InChI Key: UCHSAVGOZUCXHC-UHFFFAOYSA-N Synonym: perfluorodecyl ethylene,1h,1h,2h-perfluoro-1-dodecene,acmc-20aplc,n-perfluorodecyl ethylene,heneicosafluorodecyl-ethylene,1h,1h,2h-perfluorododec-1-ene,heneicosafluorodecyl ethylene PubChem CID: 121692 IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododec-1-ene SMILES: C=CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Pricing and Availability
Specifications

PubChem CID	121692
CAS	30389-25-4
Molecular Weight (g/mol)	546.122
MDL Number	MFCD00042346
SMILES	C=CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Synonym	perfluorodecyl ethylene,1h,1h,2h-perfluoro-1-dodecene,acmc-20aplc,n-perfluorodecyl ethylene,heneicosafluorodecyl-ethylene,1h,1h,2h-perfluorododec-1-ene,heneicosafluorodecyl ethylene
IUPAC Name	3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododec-1-ene
InChI Key	UCHSAVGOZUCXHC-UHFFFAOYSA-N
Molecular Formula	C12H3F21

3-(Difluoromethyl)pyridine, 97%

CAS: 76541-44-1 Molecular Formula: C6H5F2N Molecular Weight (g/mol): 129.11 MDL Number: MFCD11226584 InChI Key: HKRKGTFBASUFRO-UHFFFAOYSA-N Synonym: 3-difluoromethyl pyridine,pyridine, 3-difluoromethyl,pyridine,3-difluoromethyl,pyridine, 3-difluoromethyl-9ci PubChem CID: 640475 IUPAC Name: 3-(difluoromethyl)pyridine SMILES: FC(F)C1=CC=CN=C1

Pricing and Availability
Specifications

PubChem CID	640475
CAS	76541-44-1
Molecular Weight (g/mol)	129.11
MDL Number	MFCD11226584
SMILES	FC(F)C1=CC=CN=C1
Synonym	3-difluoromethyl pyridine,pyridine, 3-difluoromethyl,pyridine,3-difluoromethyl,pyridine, 3-difluoromethyl-9ci
IUPAC Name	3-(difluoromethyl)pyridine
InChI Key	HKRKGTFBASUFRO-UHFFFAOYSA-N
Molecular Formula	C6H5F2N

5-(Trifluoromethoxy)-1H-indole-2-carboxylic acid, 97%, Thermo Scientific™

CAS: 175203-84-6 Molecular Formula: C10H6F3NO3 Molecular Weight (g/mol): 245.16 MDL Number: MFCD00276997 InChI Key: DJJJSHFPEISHFN-UHFFFAOYSA-N Synonym: 5-trifluoromethoxy-1h-indole-2-carboxylic acid,5-trifluoromethoxy indole-2-carboxylic acid,maybridge1_004876,1h-indole-2-carboxylic acid, 5-trifluoromethoxy,5-trifluoromethyloxy-1h-indole-2-carboxylic acid PubChem CID: 2777290 IUPAC Name: 5-(trifluoromethoxy)-1H-indole-2-carboxylic acid SMILES: OC(=O)C1=CC2=CC(OC(F)(F)F)=CC=C2N1

Pricing and Availability
Specifications

PubChem CID	2777290
CAS	175203-84-6
Molecular Weight (g/mol)	245.16
MDL Number	MFCD00276997
SMILES	OC(=O)C1=CC2=CC(OC(F)(F)F)=CC=C2N1
Synonym	5-trifluoromethoxy-1h-indole-2-carboxylic acid,5-trifluoromethoxy indole-2-carboxylic acid,maybridge1_004876,1h-indole-2-carboxylic acid, 5-trifluoromethoxy,5-trifluoromethyloxy-1h-indole-2-carboxylic acid
IUPAC Name	5-(trifluoromethoxy)-1H-indole-2-carboxylic acid
InChI Key	DJJJSHFPEISHFN-UHFFFAOYSA-N
Molecular Formula	C10H6F3NO3

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