N,N-diethyl-2,3,3,3-tetrafluoropropanamide

• ChemBase ID: 9942
• Molecular Formular: C7H11F4NO
• Molecular Mass: 201.1619528
• Monoisotopic Mass: 201.07767686
• SMILES: N(CC)(CC)C(=O)C(F)C(F)(F)F
• Canonical SMILES: CCN(C(=O)C(C(F)(F)F)F)CC
• InChI: InChI=1S/C7H11F4NO/c1-3-12(4-2)6(13)5(8)7(9,10)11/h5H,3-4H2,1-2H3
• InChIKey: RQUXJBKONYSFAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2,3,3,3-tetrafluoropropanamide
• IUPAC Traditional name: N,N-diethyl-2,3,3,3-tetrafluoropropanamide
• Synonyms: N,N-Diethyl-2,3,3,3-tetrafluoropropionamide; N,N-Diethyl-2,3,3,3-tetrafluoropropionamide; N,N-Diethyl-2,3,3,3-tetrafluoropropanamide; N,N-Diethyl-2,3,3,3-tetrafluoropropionamide 97%; N,N-二乙基-2,3,3,3-四氟丙酰胺

Database IDs

• CAS Number: 392-63-2
• MDL Number: MFCD00069160
• Beilstein Number: 1780406
• PubChem SID: 160973249
• PubChem CID: 2774042

CALCULATED PROPERTIES

• Acid pKa: 6.672168
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3433268
• LogD (pH = 7.4): 0.57128704
• Log P: 1.371576
• Molar Refractivity: 38.962 cm^3
• Polarizability: 14.298534 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 58°C/5mm; 58°C/5mm
• Density: 1.228
• Refractive Index: 1.392; 1.3920

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 95%; 95+%; 97%