2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one

C14H17FOS — CID 55025258

IUPAC2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one
SMILESCC(SC1CCCC1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FOS/c1-10(17-13-4-2-3-5-13)14(16)11-6-8-12(15)9-7-11/h6-10,13H,2-5H2,1H3
InChIKeyFADHKJQOIRMUQR-UHFFFAOYSA-N
MW252.35 g/mol
LogP4.07
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one

2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one (PubChem CID 55025258) has the molecular formula C14H17FOS and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one
PubChem CID55025258
Molecular FormulaC14H17FOS
Molecular Weight252.35 g/mol
Exact Mass252.10
IUPAC Name2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one
SMILESCC(SC1CCCC1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FOS/c1-10(17-13-4-2-3-5-13)14(16)11-6-8-12(15)9-7-11/h6-10,13H,2-5H2,1H3
InChIKeyFADHKJQOIRMUQR-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one (CID 55025258) is 2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one is CC(SC1CCCC1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one?
The InChIKey is FADHKJQOIRMUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FOS/c1-10(17-13-4-2-3-5-13)14(16)11-6-8-12(15)9-7-11/h6-10,13H,2-5H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one?
2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one has a molecular weight of 252.35 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 55025258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).