[4-(difluoromethoxy)phenyl](phenyl)methanone

• ChemBase ID: 233265
• Molecular Formular: C14H10F2O2
• Molecular Mass: 248.2248064
• Monoisotopic Mass: 248.064886
• SMILES: C(=O)(c1ccc(OC(F)F)cc1)c1ccccc1
• Canonical SMILES: FC(Oc1ccc(cc1)C(=O)c1ccccc1)F
• InChI: InChI=1S/C14H10F2O2/c15-14(16)18-12-8-6-11(7-9-12)13(17)10-4-2-1-3-5-10/h1-9,14H
• InChIKey: IFRJKOYSMCZOKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(difluoromethoxy)phenyl](phenyl)methanone
• IUPAC Traditional name: [4-(difluoromethoxy)phenyl](phenyl)methanone
• Synonyms: [4-(difluoromethoxy)phenyl](phenyl)methanone

Database IDs

• MDL Number: MFCD06655010
• PubChem SID: 164289175
• PubChem CID: 3315228

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.201686
• LogD (pH = 7.4): 4.201686
• Log P: 4.201686
• Molar Refractivity: 63.1056 cm^3
• Polarizability: 23.92084 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156 - 158°C
• Hydrophobicity(logP): 3.846

Product Information

• Purity: 95%