2-(3,5-difluorophenyl)acetohydrazide

• ChemBase ID: 94468
• Molecular Formular: C8H8F2N2O
• Molecular Mass: 186.1587264
• Monoisotopic Mass: 186.06046933
• SMILES: Fc1cc(cc(c1)CC(=O)NN)F
• Canonical SMILES: NNC(=O)Cc1cc(F)cc(c1)F
• InChI: InChI=1S/C8H8F2N2O/c9-6-1-5(2-7(10)4-6)3-8(13)12-11/h1-2,4H,3,11H2,(H,12,13)
• InChIKey: IOHCJZUHAHBGJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-difluorophenyl)acetohydrazide
• IUPAC Traditional name: 2-(3,5-difluorophenyl)acetohydrazide
• Synonyms: 2-(3,5-difluorophenyl)acetohydrazide

Database IDs

• MDL Number: MFCD08061560
• PubChem SID: 162081122
• PubChem CID: 26985127

CALCULATED PROPERTIES

• Acid pKa: 10.943894
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.7912017
• LogD (pH = 7.4): 0.79284376
• Log P: 0.79297966
• Molar Refractivity: 44.1047 cm^3
• Polarizability: 16.131004 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true