[2-fluoro-5-(trifluoromethyl)phenyl]hydrazine hydrochloride

• ChemBase ID: 811084
• Molecular Formular: C7H7ClF4N2
• Molecular Mass: 230.5904928
• Monoisotopic Mass: 230.02338879
• SMILES: Cl.NNc1c(ccc(c1)C(F)(F)F)F
• Canonical SMILES: NNc1cc(ccc1F)C(F)(F)F.Cl
• InChI: InChI=1S/C7H6F4N2.ClH/c8-5-2-1-4(7(9,10)11)3-6(5)13-12;/h1-3,13H,12H2;1H
• InChIKey: ZUOCTQRDIMYXMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-fluoro-5-(trifluoromethyl)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: [2-fluoro-5-(trifluoromethyl)phenyl]hydrazine hydrochloride
• Synonyms: (2-FLUORO-5-TRIFLUOROMETHYL-PHENYL)-HYDRAZINE HYDROCHLORIDE

CALCULATED PROPERTIES

• Acid pKa: 15.900446
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3079808
• LogD (pH = 7.4): 2.3843725
• Log P: 2.385439
• Molar Refractivity: 41.9548 cm^3
• Polarizability: 13.997319 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%