2,2-difluoro-N-methoxy-N-methylacetamide

• ChemBase ID: 15059
• Molecular Formular: C4H7F2NO2
• Molecular Mass: 139.1006864
• Monoisotopic Mass: 139.04448491
• SMILES: C(=O)(C(F)F)N(OC)C
• Canonical SMILES: CON(C(=O)C(F)F)C
• InChI: InChI=1S/C4H7F2NO2/c1-7(9-2)4(8)3(5)6/h3H,1-2H3
• InChIKey: CUPRFYMJGQMIIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoro-N-methoxy-N-methylacetamide
• IUPAC Traditional name: 2,2-difluoro-N-methoxy-N-methylacetamide
• Synonyms: N-Methyl-N-methoxydifluoroacetamide; N-(Difluoroacetyl)-N-methoxymethylamine; 2,2-Difluoro-N-methoxy-N-methylacetamide; N-Methyl-N-methoxydifluoroacetamide; 2,2-Difluoro-N-methoxy-N-methylacetamide; 2,2-二氟-N-甲氧基-N-甲基乙酰胺

Database IDs

• CAS Number: 142492-01-1
• MDL Number: MFCD06248152
• PubChem SID: 160978366
• PubChem CID: 19023731

CALCULATED PROPERTIES

• Acid pKa: 10.513848
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.017163506
• LogD (pH = 7.4): -0.017493116
• Log P: -0.017159302
• Molar Refractivity: 25.7483 cm^3
• Polarizability: 9.874148 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 40°C/0.7mm; 40-41°C/0.7mm
• Refractive Index: 1.4020

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: X
• Risk Statements: 22-36/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319
• GHS Precautionary statements: P280-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%; 97%