3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene

C18H11F5O2S2 — CID 22745850

IUPAC3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene
SMILESCS(=O)(=O)c1c(F)cc(-c2cscc2-c2cccc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C18H11F5O2S2/c1-27(24,25)17-15(19)6-11(7-16(17)20)14-9-26-8-13(14)10-3-2-4-12(5-10)18(21,22)23/h2-9H,1H3
InChIKeyWUSWXNFQPDLUPI-UHFFFAOYSA-N
MW418.41 g/mol
LogP5.78
Rot. Bonds3

About 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene

3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene (PubChem CID 22745850) has the molecular formula C18H11F5O2S2 and a molecular weight of 418.41 g/mol. Its IUPAC name is 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene.

Molecular Properties

Compound Name3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene
PubChem CID22745850
Molecular FormulaC18H11F5O2S2
Molecular Weight418.41 g/mol
Exact Mass418.01
IUPAC Name3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene
SMILESCS(=O)(=O)c1c(F)cc(-c2cscc2-c2cccc(C(F)(F)F)c2)cc1F
InChIInChI=1S/C18H11F5O2S2/c1-27(24,25)17-15(19)6-11(7-16(17)20)14-9-26-8-13(14)10-3-2-4-12(5-10)18(21,22)23/h2-9H,1H3
InChIKeyWUSWXNFQPDLUPI-UHFFFAOYSA-N
XLogP5.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.41
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3-methylphenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)thiophene
CID 22747373
3-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-2-methylpyridine
CID 22747212
1,3-difluoro-2-methylsulfonyl-5-phenylbenzene
CID 123960607
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene
CID 18183335
1-(iodomethyl)-4-methylsulfanyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium;methanesulfonate
CID 88786457
1-fluoro-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CID 134617566
1,2,3-trifluoro-4-[3-(trifluoromethyl)phenyl]benzene
CID 134617400
3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide
CID 122422474
1-(iodomethyl)-4-methylsulfanyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium
CID 88786458
3-(4-bromophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene
CID 18183344
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene?
The IUPAC name of 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene (CID 22745850) is 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene.
What is the SMILES notation for 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene?
The canonical SMILES for 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene is CS(=O)(=O)c1c(F)cc(-c2cscc2-c2cccc(C(F)(F)F)c2)cc1F.
What is the InChIKey of 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene?
The InChIKey is WUSWXNFQPDLUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5O2S2/c1-27(24,25)17-15(19)6-11(7-16(17)20)14-9-26-8-13(14)10-3-2-4-12(5-10)18(21,22)23/h2-9H,1H3.
What are the key properties of 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene?
3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene has a molecular weight of 418.41 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-4-methylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]thiophene is sourced from PubChem (CID 22745850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).