(3,4,5-trifluorophenyl)hydrazine

• ChemBase ID: 285719
• Molecular Formular: C6H5F3N2
• Molecular Mass: 162.1125096
• Monoisotopic Mass: 162.04048283
• SMILES: c1(c(cc(cc1F)NN)F)F
• Canonical SMILES: NNc1cc(F)c(c(c1)F)F
• InChI: InChI=1S/C6H5F3N2/c7-4-1-3(11-10)2-5(8)6(4)9/h1-2,11H,10H2
• InChIKey: XBHDRYVDGKJDJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4,5-trifluorophenyl)hydrazine
• IUPAC Traditional name: (3,4,5-trifluorophenyl)hydrazine
• Synonyms: (3,4,5-trifluorophenyl)hydrazine

Database IDs

• MDL Number: MFCD17227076
• PubChem SID: 180671250
• PubChem CID: 53420284

CALCULATED PROPERTIES

• Acid pKa: 19.046413
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6848356
• LogD (pH = 7.4): 1.7914505
• Log P: 1.7929943
• Molar Refractivity: 36.4139 cm^3
• Polarizability: 12.217401 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.999

Product Information

• Purity: 95%