2,3,3,3-tetrafluoro-2-methoxypropanamide

• ChemBase ID: 99223
• Molecular Formular: C4H5F4NO2
• Molecular Mass: 175.0816128
• Monoisotopic Mass: 175.02564129
• SMILES: NC(=O)C(F)(C(F)(F)F)OC
• Canonical SMILES: COC(C(F)(F)F)(C(=O)N)F
• InChI: InChI=1S/C4H5F4NO2/c1-11-3(5,2(9)10)4(6,7)8/h1H3,(H2,9,10)
• InChIKey: DMDUFSAURLOQDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,3,3-tetrafluoro-2-methoxypropanamide
• IUPAC Traditional name: 2,3,3,3-tetrafluoro-2-methoxypropanamide
• Synonyms: 2-Methoxytetrafluoropropionamide; 2-Methoxy-2,3,3,3-tetrafluoropropanamide

Database IDs

• CAS Number: 10186-65-9
• PubChem SID: 162085511
• PubChem CID: 2802175

CALCULATED PROPERTIES

• Log P: 0.6854787
• Molar Refractivity: 26.2762 cm^3
• Polarizability: 9.966326 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 7.680085
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6880151
• LogD (pH = 7.4): 0.8018108

PROPERTIES

Physical Property

• Melting Point: 109°C
• Flash Point: >110°C

Safety Information

• Storage Warning: Irritant