N,N-diethyl-2,6-difluorobenzamide

• ChemBase ID: 300658
• Molecular Formular: C11H13F2NO
• Molecular Mass: 213.2238264
• Monoisotopic Mass: 213.09652048
• SMILES: CCN(CC)C(=O)c1c(cccc1F)F
• Canonical SMILES: CCN(C(=O)c1c(F)cccc1F)CC
• InChI: InChI=1S/C11H13F2NO/c1-3-14(4-2)11(15)10-8(12)6-5-7-9(10)13/h5-7H,3-4H2,1-2H3
• InChIKey: FBIZJCIZLQXWDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2,6-difluorobenzamide
• IUPAC Traditional name: N,N-diethyl-2,6-difluorobenzamide
• Synonyms: N,N-Diethyl-2,6-difluorobenzamide

Database IDs

• MDL Number: MFCD01306876

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.270258
• LogD (pH = 7.4): 2.270258
• Log P: 2.270258
• Molar Refractivity: 54.8598 cm^3
• Polarizability: 19.943508 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%