2-(4-fluorophenyl)cyclopentan-1-one

• ChemBase ID: 278696
• Molecular Formular: C11H11FO
• Molecular Mass: 178.2028432
• Monoisotopic Mass: 178.07939319
• SMILES: C1(=O)C(c2ccc(cc2)F)CCC1
• Canonical SMILES: O=C1CCCC1c1ccc(cc1)F
• InChI: InChI=1S/C11H11FO/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4-7,10H,1-3H2
• InChIKey: AEIUHWKAYIZWQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)cyclopentan-1-one
• IUPAC Traditional name: 2-(4-fluorophenyl)cyclopentan-1-one
• Synonyms: 2-(4-fluorophenyl)cyclopentan-1-one

Database IDs

• MDL Number: MFCD15527061
• PubChem SID: 164334606
• PubChem CID: 24787891

CALCULATED PROPERTIES

• Acid pKa: 16.193361
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8631177
• LogD (pH = 7.4): 2.8631177
• Log P: 2.8631177
• Molar Refractivity: 48.5323 cm^3
• Polarizability: 18.53401 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.077

Product Information

• Purity: 95%