cyclopentyl(4-fluorophenyl)methanone

• ChemBase ID: 272680
• Molecular Formular: C12H13FO
• Molecular Mass: 192.2294232
• Monoisotopic Mass: 192.09504326
• SMILES: C(=O)(c1ccc(cc1)F)C1CCCC1
• Canonical SMILES: O=C(c1ccc(cc1)F)C1CCCC1
• InChI: InChI=1S/C12H13FO/c13-11-7-5-10(6-8-11)12(14)9-3-1-2-4-9/h5-9H,1-4H2
• InChIKey: OLMXMRIBMVPPJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl(4-fluorophenyl)methanone
• IUPAC Traditional name: cyclopentyl(4-fluorophenyl)methanone
• Synonyms: cyclopentyl(4-fluorophenyl)methanone

Database IDs

• MDL Number: MFCD03841310
• PubChem SID: 164328590
• PubChem CID: 20109486

CALCULATED PROPERTIES

• Acid pKa: 18.176275
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3425288
• LogD (pH = 7.4): 3.3425288
• Log P: 3.3425288
• Molar Refractivity: 53.2784 cm^3
• Polarizability: 20.352596 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.272

Product Information

• Purity: 95%