2,6-difluoro-N,N-dipropylbenzamide

• ChemBase ID: 300332
• Molecular Formular: C13H17F2NO
• Molecular Mass: 241.2769864
• Monoisotopic Mass: 241.12782061
• SMILES: CCCN(CCC)C(=O)c1c(cccc1F)F
• Canonical SMILES: CCCN(C(=O)c1c(F)cccc1F)CCC
• InChI: InChI=1S/C13H17F2NO/c1-3-8-16(9-4-2)13(17)12-10(14)6-5-7-11(12)15/h5-7H,3-4,8-9H2,1-2H3
• InChIKey: IUMPPMIJZVBJQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-N,N-dipropylbenzamide
• IUPAC Traditional name: 2,6-difluoro-N,N-dipropylbenzamide
• Synonyms: 2,6-Difluoro-N,N-dipropylbenzamide

Database IDs

• MDL Number: MFCD22683038

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3153028
• LogD (pH = 7.4): 3.3153028
• Log P: 3.3153028
• Molar Refractivity: 63.9078 cm^3
• Polarizability: 23.589643 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%