2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol

C15H19F3OS — CID 65139489

IUPAC2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESOC(CSC1CCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3OS/c16-15(17,18)13-9-5-4-8-12(13)14(19)10-20-11-6-2-1-3-7-11/h4-5,8-9,11,14,19H,1-3,6-7,10H2
InChIKeyLGYSZXZBXPKJAJ-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.80
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol

2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 65139489) has the molecular formula C15H19F3OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID65139489
Molecular FormulaC15H19F3OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESOC(CSC1CCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3OS/c16-15(17,18)13-9-5-4-8-12(13)14(19)10-20-11-6-2-1-3-7-11/h4-5,8-9,11,14,19H,1-3,6-7,10H2
InChIKeyLGYSZXZBXPKJAJ-UHFFFAOYSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol
CID 65139691
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 107288481
2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 65138645
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 65139431
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 60981296
2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol
CID 103143427
2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 81467198
2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol
CID 65138964
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 96951616

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol (CID 65139489) is 2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol is OC(CSC1CCCCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is LGYSZXZBXPKJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3OS/c16-15(17,18)13-9-5-4-8-12(13)14(19)10-20-11-6-2-1-3-7-11/h4-5,8-9,11,14,19H,1-3,6-7,10H2.
What are the key properties of 2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol?
2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 304.38 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 65139489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).