3,3,3-trifluoropropanehydrazide

• ChemBase ID: 261265
• Molecular Formular: C3H5F3N2O
• Molecular Mass: 142.0798096
• Monoisotopic Mass: 142.03539745
• SMILES: C(CC(=O)NN)(F)(F)F
• Canonical SMILES: NNC(=O)CC(F)(F)F
• InChI: InChI=1S/C3H5F3N2O/c4-3(5,6)1-2(9)8-7/h1,7H2,(H,8,9)
• InChIKey: SIBFPPHRYSRRKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,3-trifluoropropanehydrazide
• IUPAC Traditional name: 3,3,3-trifluoropropanehydrazide
• Synonyms: 3,3,3-trifluoropropanehydrazide

Database IDs

• MDL Number: MFCD09733365
• PubChem SID: 164317175
• PubChem CID: 16786607

CALCULATED PROPERTIES

• Acid pKa: 9.337188
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.26445144
• LogD (pH = 7.4): -0.2666803
• Log P: -0.2618011
• Molar Refractivity: 24.5094 cm^3
• Polarizability: 8.754565 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90 - 92°C
• Hydrophobicity(logP): -0.831

Product Information

• Purity: 95%