(1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol

C13H17FOS — CID 78951666

IUPAC(1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol
SMILESC[C@@H](O)c1ccc(SC2CCCC2)c(F)c1
InChIInChI=1S/C13H17FOS/c1-9(15)10-6-7-13(12(14)8-10)16-11-4-2-3-5-11/h6-9,11,15H,2-5H2,1H3/t9-/m1/s1
InChIKeySQLJGAHDPTXXIO-SECBINFHSA-N
MW240.34 g/mol
LogP3.91
Rot. Bonds3

About (1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol

(1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol (PubChem CID 78951666) has the molecular formula C13H17FOS and a molecular weight of 240.34 g/mol. Its IUPAC name is (1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol
PubChem CID78951666
Molecular FormulaC13H17FOS
Molecular Weight240.34 g/mol
Exact Mass240.10
IUPAC Name(1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol
SMILESC[C@@H](O)c1ccc(SC2CCCC2)c(F)c1
InChIInChI=1S/C13H17FOS/c1-9(15)10-6-7-13(12(14)8-10)16-11-4-2-3-5-11/h6-9,11,15H,2-5H2,1H3/t9-/m1/s1
InChIKeySQLJGAHDPTXXIO-SECBINFHSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol
CID 63835939
(1R)-1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanol
CID 63835814
4-cyclohexylsulfanyl-3-fluoroaniline
CID 43303790
N-[(4-cyclopentylsulfanyl-3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63814069
(1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496639
(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63812972
(1S)-1-[4-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-fluorophenyl]ethanol
CID 78951727
(1S)-1-(3-fluoro-4-propylsulfanylphenyl)ethanol
CID 78952025
(1S)-1-[4-(2-cyclopentylethoxy)-3-fluorophenyl]ethanol
CID 114191389
(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63370674
1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43541379
(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940583

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol?
The IUPAC name of (1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol (CID 78951666) is (1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol?
The canonical SMILES for (1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol is C[C@@H](O)c1ccc(SC2CCCC2)c(F)c1.
What is the InChIKey of (1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol?
The InChIKey is SQLJGAHDPTXXIO-SECBINFHSA-N. The full InChI is InChI=1S/C13H17FOS/c1-9(15)10-6-7-13(12(14)8-10)16-11-4-2-3-5-11/h6-9,11,15H,2-5H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol?
(1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol has a molecular weight of 240.34 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol is sourced from PubChem (CID 78951666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).