2,2,3,3-tetrafluoropropanamide

• ChemBase ID: 93278
• Molecular Formular: C3H3F4NO
• Molecular Mass: 145.0556328
• Monoisotopic Mass: 145.0150766
• SMILES: FC(F)C(C(=O)N)(F)F
• Canonical SMILES: FC(C(C(=O)N)(F)F)F
• InChI: InChI=1S/C3H3F4NO/c4-1(5)3(6,7)2(8)9/h1H,(H2,8,9)
• InChIKey: WJNHHTXAWAPICM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3-tetrafluoropropanamide
• IUPAC Traditional name: 2,2,3,3-tetrafluoropropanamide
• Synonyms: 2,2,3,3-Tetrafluoropropionamide 97%; 2,2,3,3-tetrafluoropropanamide

Database IDs

• CAS Number: 2069-86-5
• MDL Number: MFCD00083091
• PubChem SID: 162079963
• PubChem CID: 2776734

CALCULATED PROPERTIES

• Acid pKa: 6.767468
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.33334792
• LogD (pH = 7.4): 0.55042917
• Log P: 0.31392252
• Molar Refractivity: 19.2544 cm^3
• Polarizability: 7.462916 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%