2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol

C15H12F4OS — CID 60981157

IUPAC2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CSc1ccccc1F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F4OS/c16-12-3-1-2-4-14(12)21-9-13(20)10-5-7-11(8-6-10)15(17,18)19/h1-8,13,20H,9H2
InChIKeySHVDSSCVFAXYEZ-UHFFFAOYSA-N
MW316.32 g/mol
LogP4.67
Rot. Bonds4

About 2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol

2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 60981157) has the molecular formula C15H12F4OS and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID60981157
Molecular FormulaC15H12F4OS
Molecular Weight316.32 g/mol
Exact Mass316.05
IUPAC Name2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CSc1ccccc1F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F4OS/c16-12-3-1-2-4-14(12)21-9-13(20)10-5-7-11(8-6-10)15(17,18)19/h1-8,13,20H,9H2
InChIKeySHVDSSCVFAXYEZ-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60981309
1-bromo-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 112560931
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 82823028
N'-(2-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534882
1-(2-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66051325
1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66052290
(1R)-4,4-bis(phenylsulfanyl)-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 10048442
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 101378731
1-(2,6-difluorophenyl)-3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 95368355
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 62790964

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol (CID 60981157) is 2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol is OC(CSc1ccccc1F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is SHVDSSCVFAXYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4OS/c16-12-3-1-2-4-14(12)21-9-13(20)10-5-7-11(8-6-10)15(17,18)19/h1-8,13,20H,9H2.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol?
2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 316.32 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 60981157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).