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

• ChemBase ID: 246487
• Molecular Formular: C14H8ClF3O
• Molecular Mass: 284.6609296
• Monoisotopic Mass: 284.02157722
• SMILES: C(c1ccc(C(=O)c2ccc(cc2)Cl)cc1)(F)(F)F
• Canonical SMILES: Clc1ccc(cc1)C(=O)c1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C14H8ClF3O/c15-12-7-3-10(4-8-12)13(19)9-1-5-11(6-2-9)14(16,17)18/h1-8H
• InChIKey: RHOAOVIKZMOITD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00156808
• PubChem SID: 164302397
• PubChem CID: 587432

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.914492
• LogD (pH = 7.4): 4.914492
• Log P: 4.914492
• Molar Refractivity: 67.412 cm^3
• Polarizability: 24.93443 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.935

Product Information

• Purity: 95%