2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol

C13H16F2OS — CID 60981296

IUPAC2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
SMILESOC(CSC1CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C13H16F2OS/c14-9-5-6-11(12(15)7-9)13(16)8-17-10-3-1-2-4-10/h5-7,10,13,16H,1-4,8H2
InChIKeySPDBKHXQHMAPND-UHFFFAOYSA-N
MW258.33 g/mol
LogP3.67
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol

2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol (PubChem CID 60981296) has the molecular formula C13H16F2OS and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
PubChem CID60981296
Molecular FormulaC13H16F2OS
Molecular Weight258.33 g/mol
Exact Mass258.09
IUPAC Name2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
SMILESOC(CSC1CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C13H16F2OS/c14-9-5-6-11(12(15)7-9)13(16)8-17-10-3-1-2-4-10/h5-7,10,13,16H,1-4,8H2
InChIKeySPDBKHXQHMAPND-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 65139431
2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol
CID 65138964
2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82770118
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol
CID 60981166
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 65144292
3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
CID 61088667
2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol
CID 65139790
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine
CID 65139295
2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 65138607
1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 65139451
2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 107288481
1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 54941852

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol (CID 60981296) is 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol is OC(CSC1CCCC1)c1ccc(F)cc1F.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol?
The InChIKey is SPDBKHXQHMAPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2OS/c14-9-5-6-11(12(15)7-9)13(16)8-17-10-3-1-2-4-10/h5-7,10,13,16H,1-4,8H2.
What are the key properties of 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol?
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol has a molecular weight of 258.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 60981296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).