2,2-difluoroacetamide

• ChemBase ID: 11910
• Molecular Formular: C2H3F2NO
• Molecular Mass: 95.0481264
• Monoisotopic Mass: 95.01827016
• SMILES: C(=O)(C(F)F)N
• Canonical SMILES: FC(C(=O)N)F
• InChI: InChI=1S/C2H3F2NO/c3-1(4)2(5)6/h1H,(H2,5,6)
• InChIKey: ZMIBIIAWFMCVFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoroacetamide
• IUPAC Traditional name: 2,2-difluoroacetamide
• Synonyms: 2,2-Difluoroacetamide; 2,2-Difluoroacetamide 97%

Database IDs

• CAS Number: 359-38-6
• MDL Number: MFCD01896431
• PubChem SID: 160975217
• PubChem CID: 2782321

CALCULATED PROPERTIES

• Acid pKa: 9.567417
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6155812
• LogD (pH = 7.4): -0.6130062
• Log P: -0.61561435
• Molar Refractivity: 14.6047 cm^3
• Polarizability: 5.600197 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: none°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%