(4-fluorophenyl)[4-(trifluoromethyl)phenyl]methanone

• ChemBase ID: 248964
• Molecular Formular: C14H8F4O
• Molecular Mass: 268.2063328
• Monoisotopic Mass: 268.05112776
• SMILES: C(c1ccc(C(=O)c2ccc(cc2)F)cc1)(F)(F)F
• Canonical SMILES: Fc1ccc(cc1)C(=O)c1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C14H8F4O/c15-12-7-3-10(4-8-12)13(19)9-1-5-11(6-2-9)14(16,17)18/h1-8H
• InChIKey: GYZZOEFAMMXSIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12569006
• PubChem SID: 164304874
• PubChem CID: 85496

CALCULATED PROPERTIES

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4531493
• LogD (pH = 7.4): 4.4531493
• Log P: 4.4531493
• Molar Refractivity: 62.8236 cm^3
• Polarizability: 22.78303 Å^3
• Polar Surface Area: 17.07 Å^2

PROPERTIES

Physical Property

• Melting Point: 100 - 102°C
• Hydrophobicity(logP): 4.365

Product Information

• Purity: 95%