2-[3,5-bis(trifluoromethyl)benzoyl]benzoyl chloride

• ChemBase ID: 95734
• Molecular Formular: C16H7ClF6O2
• Molecular Mass: 380.6689992
• Monoisotopic Mass: 380.00387646
• SMILES: O=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1C(=O)Cl
• Canonical SMILES: O=C(c1ccccc1C(=O)Cl)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C16H7ClF6O2/c17-14(25)12-4-2-1-3-11(12)13(24)8-5-9(15(18,19)20)7-10(6-8)16(21,22)23/h1-7H
• InChIKey: SGWYOXCDPDGCST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3,5-bis(trifluoromethyl)benzoyl]benzoyl chloride
• IUPAC Traditional name: 2-[3,5-bis(trifluoromethyl)benzoyl]benzoyl chloride
• Synonyms: 2-[3,5-bis(trifluoromethyl)benzoyl]benzoyl chloride

Database IDs

• MDL Number: MFCD01570125
• PubChem SID: 162082383
• PubChem CID: 2780309

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.3792086
• LogD (pH = 7.4): 5.3792086
• Log P: 5.3792086
• Molar Refractivity: 79.6956 cm^3
• Polarizability: 28.364841 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false