1,3-bis(2-fluorophenyl)propan-2-one

• ChemBase ID: 239129
• Molecular Formular: C15H12F2O
• Molecular Mass: 246.2519864
• Monoisotopic Mass: 246.08562144
• SMILES: C(=O)(Cc1c(F)cccc1)Cc1c(F)cccc1
• Canonical SMILES: O=C(Cc1ccccc1F)Cc1ccccc1F
• InChI: InChI=1S/C15H12F2O/c16-14-7-3-1-5-11(14)9-13(18)10-12-6-2-4-8-15(12)17/h1-8H,9-10H2
• InChIKey: ZPMDLKAIBNZIKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-bis(2-fluorophenyl)propan-2-one
• IUPAC Traditional name: 1,3-bis(2-fluorophenyl)propan-2-one
• Synonyms: 1,3-bis(2-fluorophenyl)propan-2-one

Database IDs

• MDL Number: MFCD16204277
• PubChem SID: 164295039
• PubChem CID: 54978049

CALCULATED PROPERTIES

• Acid pKa: 13.142714
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0603633
• LogD (pH = 7.4): 4.0603623
• Log P: 4.0603633
• Molar Refractivity: 66.0714 cm^3
• Polarizability: 24.837204 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.484

Product Information

• Purity: 95%