2,2-difluoro-2-phenoxyacetohydrazide

• ChemBase ID: 279065
• Molecular Formular: C8H8F2N2O2
• Molecular Mass: 202.1581264
• Monoisotopic Mass: 202.05538395
• SMILES: C(C(=O)NN)(Oc1ccccc1)(F)F
• Canonical SMILES: NNC(=O)C(Oc1ccccc1)(F)F
• InChI: InChI=1S/C8H8F2N2O2/c9-8(10,7(13)12-11)14-6-4-2-1-3-5-6/h1-5H,11H2,(H,12,13)
• InChIKey: JWDTXSAYESWOSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoro-2-phenoxyacetohydrazide
• IUPAC Traditional name: 2,2-difluoro-2-phenoxyacetohydrazide
• Synonyms: 2,2-difluoro-2-phenoxyacetohydrazide

Database IDs

• MDL Number: MFCD18369160
• PubChem SID: 164334975
• PubChem CID: 54595121

CALCULATED PROPERTIES

• Acid pKa: 7.8252378
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3398043
• LogD (pH = 7.4): 1.2223026
• Log P: 1.3426567
• Molar Refractivity: 45.6274 cm^3
• Polarizability: 16.957933 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): 1.955

Product Information

• Purity: 95%