1-(2-fluorophenyl)-2-phenylethan-1-one

• ChemBase ID: 277883
• Molecular Formular: C14H11FO
• Molecular Mass: 214.2349432
• Monoisotopic Mass: 214.07939319
• SMILES: C(=O)(c1c(F)cccc1)Cc1ccccc1
• Canonical SMILES: O=C(c1ccccc1F)Cc1ccccc1
• InChI: InChI=1S/C14H11FO/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9H,10H2
• InChIKey: ZAKNRBRFLQSIBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)-2-phenylethan-1-one
• IUPAC Traditional name: 1-(2-fluorophenyl)-2-phenylethanone
• Synonyms: 1-(2-fluorophenyl)-2-phenylethan-1-one

Database IDs

• MDL Number: MFCD02260662
• PubChem SID: 164333793
• PubChem CID: 12693379

CALCULATED PROPERTIES

• Acid pKa: 13.488604
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.507935
• LogD (pH = 7.4): 3.5079348
• Log P: 3.507935
• Molar Refractivity: 61.3991 cm^3
• Polarizability: 23.304186 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.118

Product Information

• Purity: 95%