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

C13H14F2OS — CID 55178865

IUPAC2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone
SMILESO=C(CSC1CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2OS/c14-9-5-6-11(12(15)7-9)13(16)8-17-10-3-1-2-4-10/h5-7,10H,1-4,8H2
InChIKeyRFIJLXFWGMRLLQ-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.82
Rot. Bonds4

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

2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone (PubChem CID 55178865) has the molecular formula C13H14F2OS and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone
PubChem CID55178865
Molecular FormulaC13H14F2OS
Molecular Weight256.32 g/mol
Exact Mass256.07
IUPAC Name2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone
SMILESO=C(CSC1CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C13H14F2OS/c14-9-5-6-11(12(15)7-9)13(16)8-17-10-3-1-2-4-10/h5-7,10H,1-4,8H2
InChIKeyRFIJLXFWGMRLLQ-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanone
CID 60645510
2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethanone
CID 65140079
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
2-cyclopentylsulfanyl-1-(2,4-dimethylphenyl)ethanone
CID 60643768
2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone
CID 60884745
2-cyclohexylsulfonyl-1-(2,4-difluorophenyl)ethanone
CID 64636932
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)propan-1-one
CID 60698486
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 43228924
1-(2-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139931
2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone
CID 116591215
1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135
2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 63630556

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone (CID 55178865) is 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone is O=C(CSC1CCCC1)c1ccc(F)cc1F.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone?
The InChIKey is RFIJLXFWGMRLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2OS/c14-9-5-6-11(12(15)7-9)13(16)8-17-10-3-1-2-4-10/h5-7,10H,1-4,8H2.
What are the key properties of 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone?
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone has a molecular weight of 256.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 55178865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).