bis(2-fluorophenyl)methanone

• ChemBase ID: 238524
• Molecular Formular: C13H8F2O
• Molecular Mass: 218.1988264
• Monoisotopic Mass: 218.05432132
• SMILES: C(=O)(c1c(F)cccc1)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1C(=O)c1ccccc1F
• InChI: InChI=1S/C13H8F2O/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8H
• InChIKey: GNDHXHLGYBJDRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-fluorophenyl)methanone
• IUPAC Traditional name: bis(2-fluorophenyl)methanone
• Synonyms: bis(2-fluorophenyl)methanone

Database IDs

• MDL Number: MFCD12025148
• PubChem SID: 164294434
• PubChem CID: 67649

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7180028
• LogD (pH = 7.4): 3.7180028
• Log P: 3.7180028
• Molar Refractivity: 57.0663 cm^3
• Polarizability: 21.312153 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.668

Product Information

• Purity: 95%