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

• ChemBase ID: 242811
• Molecular Formular: C7H6F4N2
• Molecular Mass: 194.1295528
• Monoisotopic Mass: 194.04671108
• SMILES: C(c1cc(c(cc1)F)NN)(F)(F)F
• Canonical SMILES: NNc1cc(ccc1F)C(F)(F)F
• InChI: InChI=1S/C7H6F4N2/c8-5-2-1-4(7(9,10)11)3-6(5)13-12/h1-3,13H,12H2
• InChIKey: NHTBGXJERDIJGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-fluoro-5-(trifluoromethyl)phenyl]hydrazine
• IUPAC Traditional name: [2-fluoro-5-(trifluoromethyl)phenyl]hydrazine
• Synonyms: [2-fluoro-5-(trifluoromethyl)phenyl]hydrazine; (2-Fluoro-5-trifluoromethyl-phenyl)-hydrazine

Database IDs

• CAS Number: 1093059-58-5
• MDL Number: MFCD09997744
• PubChem SID: 164298721
• PubChem CID: 51358476

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

Physical Property

• Hydrophobicity(logP): 2.926

Product Information

• Purity: 95%; 96%