3-(4-fluorophenyl)cyclopentan-1-one

• ChemBase ID: 810744
• Molecular Formular: C11H11FO
• Molecular Mass: 178.2028432
• Monoisotopic Mass: 178.07939319
• SMILES: C1(=O)CC(CC1)c1ccc(cc1)F
• Canonical SMILES: O=C1CCC(C1)c1ccc(cc1)F
• InChI: InChI=1S/C11H11FO/c12-10-4-1-8(2-5-10)9-3-6-11(13)7-9/h1-2,4-5,9H,3,6-7H2
• InChIKey: UKFKGEOPZKWZEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenyl)cyclopentan-1-one
• IUPAC Traditional name: 3-(4-fluorophenyl)cyclopentan-1-one
• Synonyms: 3-(4-FLUOROPHENYL)CYCLOPENTANONE

Database IDs

• CAS Number: 165591-10-6

CALCULATED PROPERTIES

• Acid pKa: 19.964798
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6071506
• LogD (pH = 7.4): 2.6071506
• Log P: 2.6071506
• Molar Refractivity: 48.5064 cm^3
• Polarizability: 18.535 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%