2,6-difluoro-N,N-bis(propan-2-yl)benzamide

• ChemBase ID: 300578
• Molecular Formular: C13H17F2NO
• Molecular Mass: 241.2769864
• Monoisotopic Mass: 241.12782061
• SMILES: CC(C)N(C(C)C)C(=O)c1c(cccc1F)F
• Canonical SMILES: CC(N(C(=O)c1c(F)cccc1F)C(C)C)C
• InChI: InChI=1S/C13H17F2NO/c1-8(2)16(9(3)4)13(17)12-10(14)6-5-7-11(12)15/h5-9H,1-4H3
• InChIKey: MXWWRYRQDZCBLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-N,N-bis(propan-2-yl)benzamide
• IUPAC Traditional name: 2,6-difluoro-N,N-diisopropylbenzamide
• Synonyms: 2,6-Difluoro-N,N-diisopropylbenzamide

Database IDs

• MDL Number: MFCD22683056

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.103408
• LogD (pH = 7.4): 3.103408
• Log P: 3.103408
• Molar Refractivity: 63.6974 cm^3
• Polarizability: 23.589588 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%