2,2-difluoroacetohydrazide

• ChemBase ID: 247889
• Molecular Formular: C2H4F2N2O
• Molecular Mass: 110.0627664
• Monoisotopic Mass: 110.0291692
• SMILES: C(=O)(C(F)F)NN
• Canonical SMILES: NNC(=O)C(F)F
• InChI: InChI=1S/C2H4F2N2O/c3-1(4)2(7)6-5/h1H,5H2,(H,6,7)
• InChIKey: QCPHJKOQDCQCIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoroacetohydrazide
• IUPAC Traditional name: 2,2-difluoroacetohydrazide
• Synonyms: 2,2-difluoroacetohydrazide

Database IDs

• MDL Number: MFCD22413557
• PubChem SID: 164303799
• PubChem CID: 19065797

CALCULATED PROPERTIES

• Acid pKa: 8.030203
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.91544694
• LogD (pH = 7.4): -0.99246514
• Log P: -0.91209006
• Molar Refractivity: 19.0888 cm^3
• Polarizability: 6.9889975 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.178

Product Information

• Purity: 95%