N,N-dimethyl-3,5-bis(trifluoromethyl)benzene-1-carbohydrazonoyl chloride

• ChemBase ID: 96067
• Molecular Formular: C11H9ClF6N2
• Molecular Mass: 318.6459792
• Monoisotopic Mass: 318.0358453
• SMILES: N(=C(\c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/Cl)/N(C)C
• Canonical SMILES: CN(/N=C(/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)\Cl)C
• InChI: InChI=1S/C11H9ClF6N2/c1-20(2)19-9(12)6-3-7(10(13,14)15)5-8(4-6)11(16,17)18/h3-5H,1-2H3
• InChIKey: RUFMKOCSXHUAHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3,5-bis(trifluoromethyl)benzene-1-carbohydrazonoyl chloride
• IUPAC Traditional name: N,N-dimethyl-3,5-bis(trifluoromethyl)benzenecarbohydrazonoyl chloride
• Synonyms: N1,N1-dimethyl-3,5-di(trifluoromethyl)benzene-1-carbohydrazonoyl chloride

Database IDs

• MDL Number: MFCD00174760
• PubChem SID: 162082716
• PubChem CID: 9582309

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8018103
• LogD (pH = 7.4): 3.8018112
• Log P: 3.8018112
• Molar Refractivity: 64.2706 cm^3
• Polarizability: 22.585777 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true