2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol

C14H16F4OS — CID 107288481

IUPAC2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CSC1CCCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F4OS/c15-12-6-5-9(7-11(12)14(16,17)18)13(19)8-20-10-3-1-2-4-10/h5-7,10,13,19H,1-4,8H2
InChIKeyFNOCAQWSPOPNFO-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.55
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol

2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol (PubChem CID 107288481) has the molecular formula C14H16F4OS and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
PubChem CID107288481
Molecular FormulaC14H16F4OS
Molecular Weight308.34 g/mol
Exact Mass308.09
IUPAC Name2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CSC1CCCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F4OS/c15-12-6-5-9(7-11(12)14(16,17)18)13(19)8-20-10-3-1-2-4-10/h5-7,10,13,19H,1-4,8H2
InChIKeyFNOCAQWSPOPNFO-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol
CID 65139790
2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107288990
2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 65139489
2-cyclohexylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 107288993
2-cyclopentylsulfanyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107288991
2-cyclopentylsulfanyl-1-(3,4-dimethoxyphenyl)ethanol
CID 65138752
(1S,2R)-2-amino-1-cyclopentyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171159865
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 60981296
2-cyclopentylsulfanyl-1-(2-methylquinolin-6-yl)ethanol
CID 81220822
(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171222169
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 115847288
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 65139431

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol (CID 107288481) is 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol is OC(CSC1CCCC1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is FNOCAQWSPOPNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4OS/c15-12-6-5-9(7-11(12)14(16,17)18)13(19)8-20-10-3-1-2-4-10/h5-7,10,13,19H,1-4,8H2.
What are the key properties of 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol?
2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 308.34 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 107288481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).