N,N-dibutyl-2,6-difluorobenzamide

• ChemBase ID: 300802
• Molecular Formular: C15H21F2NO
• Molecular Mass: 269.3301464
• Monoisotopic Mass: 269.15912074
• SMILES: CCCCN(CCCC)C(=O)c1c(cccc1F)F
• Canonical SMILES: CCCCN(C(=O)c1c(F)cccc1F)CCCC
• InChI: InChI=1S/C15H21F2NO/c1-3-5-10-18(11-6-4-2)15(19)14-12(16)8-7-9-13(14)17/h7-9H,3-6,10-11H2,1-2H3
• InChIKey: BTXNGJCNHCDPDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibutyl-2,6-difluorobenzamide
• IUPAC Traditional name: N,N-dibutyl-2,6-difluorobenzamide
• Synonyms: N,N-Di-n-butyl-2,6-difluorobenzamide

Database IDs

• MDL Number: MFCD22988987

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.20444
• LogD (pH = 7.4): 4.20444
• Log P: 4.20444
• Molar Refractivity: 73.1098 cm^3
• Polarizability: 27.246437 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%