trifluoroacetohydrazide

• ChemBase ID: 269396
• Molecular Formular: C2H3F3N2O
• Molecular Mass: 128.0532296
• Monoisotopic Mass: 128.01974739
• SMILES: C(=O)(C(F)(F)F)NN
• Canonical SMILES: NNC(=O)C(F)(F)F
• InChI: InChI=1S/C2H3F3N2O/c3-2(4,5)1(8)7-6/h6H2,(H,7,8)
• InChIKey: OFUCCBIWEUKISP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoroacetohydrazide
• IUPAC Traditional name: trifluoroacetohydrazide
• Synonyms: 2,2,2-trifluoroacetohydrazide; TRIFLUOROACETIC ACID HYDRAZIDE

Database IDs

• CAS Number: 1538-08-5
• MDL Number: MFCD00221440
• PubChem SID: 164325306
• PubChem CID: 229753

CALCULATED PROPERTIES

• Acid pKa: 1.1987604
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1370128
• LogD (pH = 7.4): -1.1373749
• Log P: -1.1382074
• Molar Refractivity: 19.9602 cm^3
• Polarizability: 7.065614 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111 - 113°C
• Hydrophobicity(logP): -0.515

Product Information

• Purity: 95%; 95+%; 98%