[4-fluoro-2-(trifluoromethyl)phenyl]hydrazine hydrochloride

• ChemBase ID: 94994
• Molecular Formular: C7H7ClF4N2
• Molecular Mass: 230.5904928
• Monoisotopic Mass: 230.02338879
• SMILES: N(c1ccc(cc1C(F)(F)F)F)N.Cl
• Canonical SMILES: NNc1ccc(cc1C(F)(F)F)F.Cl
• InChI: InChI=1S/C7H6F4N2.ClH/c8-4-1-2-6(13-12)5(3-4)7(9,10)11;/h1-3,13H,12H2;1H
• InChIKey: LNQZKXJBQIKMPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-fluoro-2-(trifluoromethyl)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [4-fluoro-2-(trifluoromethyl)phenyl]hydrazine hydrochloride
• Synonyms: 4-Fluoro-2-(trifluoromethyl)phenylhydrazine hydrochloride

Database IDs

• MDL Number: MFCD03094163
• PubChem SID: 162081645
• PubChem CID: 44717384

CALCULATED PROPERTIES

• Acid pKa: 18.45689
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2662659
• LogD (pH = 7.4): 2.3837
• Log P: 2.385439
• Molar Refractivity: 41.9548 cm^3
• Polarizability: 13.996951 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant