2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol

C14H11F4NOS — CID 102707834

IUPAC2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESOC(CSc1ccc(F)cc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H11F4NOS/c15-9-1-3-10(4-2-9)21-8-13(20)11-7-19-6-5-12(11)14(16,17)18/h1-7,13,20H,8H2
InChIKeyVJXZBPGTUJPBBN-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.07
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol

2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (PubChem CID 102707834) has the molecular formula C14H11F4NOS and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
PubChem CID102707834
Molecular FormulaC14H11F4NOS
Molecular Weight317.31 g/mol
Exact Mass317.05
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESOC(CSc1ccc(F)cc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H11F4NOS/c15-9-1-3-10(4-2-9)21-8-13(20)11-7-19-6-5-12(11)14(16,17)18/h1-7,13,20H,8H2
InChIKeyVJXZBPGTUJPBBN-UHFFFAOYSA-N
XLogP4.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
CID 102707910
2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
CID 66271619
N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102708230
2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66271230
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
(2,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707286
2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
CID 66271190
(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106848731
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)sulfanylethanol
CID 60980220

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (CID 102707834) is 2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is OC(CSc1ccc(F)cc1)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The InChIKey is VJXZBPGTUJPBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NOS/c15-9-1-3-10(4-2-9)21-8-13(20)11-7-19-6-5-12(11)14(16,17)18/h1-7,13,20H,8H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol has a molecular weight of 317.31 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 102707834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).