ammonium trifluoroacetate

• ChemBase ID: 107791
• Molecular Formular: C2H4F3NO2
• Molecular Mass: 131.0538696
• Monoisotopic Mass: 131.01941303
• SMILES: [NH4+].[O-]C(=O)C(F)(F)F
• Canonical SMILES: [O-]C(=O)C(F)(F)F.[NH4+]
• InChI: InChI=1S/C2HF3O2.H3N/c3-2(4,5)1(6)7;/h(H,6,7);1H3
• InChIKey: YCNIBOIOWCTRCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium trifluoroacetate
• IUPAC Traditional name: ammonium trifluoroacetate
• Synonyms: AMMONIUM TRIFLUOROACETATE

Database IDs

• CAS Number: 3336-58-1
• EC Number: 222-072-4
• PubChem SID: 162094877
• PubChem CID: 2724268

CALCULATED PROPERTIES

• Acid pKa: 0.9503416
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.5809014
• LogD (pH = 7.4): -2.6199632
• Log P: 0.90898293
• Molar Refractivity: 24.491 cm^3
• Polarizability: 5.106112 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05205048

MP Biomedicals Rare Chemical collection