1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one

C14H16F2OS — CID 105405282

IUPAC1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one
SMILESO=C(CSC1CCCC1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2OS/c15-11-5-10(6-12(16)8-11)7-13(17)9-18-14-3-1-2-4-14/h5-6,8,14H,1-4,7,9H2
InChIKeyPCYURWVICMMUTQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.75
Rot. Bonds5

About 1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one

1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one (PubChem CID 105405282) has the molecular formula C14H16F2OS and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one
PubChem CID105405282
Molecular FormulaC14H16F2OS
Molecular Weight270.34 g/mol
Exact Mass270.09
IUPAC Name1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one
SMILESO=C(CSC1CCCC1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H16F2OS/c15-11-5-10(6-12(16)8-11)7-13(17)9-18-14-3-1-2-4-14/h5-6,8,14H,1-4,7,9H2
InChIKeyPCYURWVICMMUTQ-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentylsulfanyl-3-(3,5-dimethylphenyl)propan-2-one
CID 65138899
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-one
CID 103039381
1-cyclopentylsulfanyl-3-phenylpropan-2-one
CID 63115475
1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 103039382
1-(2-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139931
1-cyclohexylsulfanyl-3-(4-ethylphenyl)propan-2-one
CID 65139729
1-cyclopentylsulfanyl-3-(3-methylphenyl)propan-2-one
CID 65138848
1-(4-tert-butylphenyl)-3-cyclopentylsulfanylpropan-2-one
CID 65138954
1-(5-bromo-2-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139930
1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one
CID 65139009
1-tert-butylsulfanyl-3-(3,5-difluorophenyl)propan-2-one
CID 105405276
1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one
CID 105411916

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one?
The IUPAC name of 1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one (CID 105405282) is 1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one.
What is the SMILES notation for 1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one?
The canonical SMILES for 1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one is O=C(CSC1CCCC1)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one?
The InChIKey is PCYURWVICMMUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2OS/c15-11-5-10(6-12(16)8-11)7-13(17)9-18-14-3-1-2-4-14/h5-6,8,14H,1-4,7,9H2.
What are the key properties of 1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one?
1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one has a molecular weight of 270.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-3-(3,5-difluorophenyl)propan-2-one is sourced from PubChem (CID 105405282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).