2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol

C14H18F2OS — CID 65139790

IUPAC2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol
SMILESOC(CSC1CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2OS/c15-12-7-6-10(8-13(12)16)14(17)9-18-11-4-2-1-3-5-11/h6-8,11,14,17H,1-5,9H2
InChIKeyIEQGBWKOGPSSCR-UHFFFAOYSA-N
MW272.36 g/mol
LogP4.06
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol

2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol (PubChem CID 65139790) has the molecular formula C14H18F2OS and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol
PubChem CID65139790
Molecular FormulaC14H18F2OS
Molecular Weight272.36 g/mol
Exact Mass272.10
IUPAC Name2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol
SMILESOC(CSC1CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2OS/c15-12-7-6-10(8-13(12)16)14(17)9-18-11-4-2-1-3-5-11/h6-8,11,14,17H,1-5,9H2
InChIKeyIEQGBWKOGPSSCR-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 107288481
(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 65139431
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618
2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol
CID 65139697
2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol
CID 65138752
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 60981296
2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 54932887
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol
CID 60981166
2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol
CID 81220822
2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol
CID 65139338

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol (CID 65139790) is 2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol is OC(CSC1CCCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol?
The InChIKey is IEQGBWKOGPSSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2OS/c15-12-7-6-10(8-13(12)16)14(17)9-18-11-4-2-1-3-5-11/h6-8,11,14,17H,1-5,9H2.
What are the key properties of 2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol?
2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol has a molecular weight of 272.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 65139790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).