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

• ChemBase ID: 799627
• Molecular Formular: C7H6F4N2
• Molecular Mass: 194.1295528
• Monoisotopic Mass: 194.04671108
• SMILES: NNc1c(cc(cc1)C(F)(F)F)F
• Canonical SMILES: NNc1ccc(cc1F)C(F)(F)F
• InChI: InChI=1S/C7H6F4N2/c8-5-3-4(7(9,10)11)1-2-6(5)13-12/h1-3,13H,12H2
• InChIKey: VLSRTHHRMRUDKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 912761-86-5

CALCULATED PROPERTIES

• Acid pKa: 16.411613
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.298508
• LogD (pH = 7.4): 2.3842287
• Log P: 2.385439
• Molar Refractivity: 41.9548 cm^3
• Polarizability: 13.997166 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%