2,6-difluoro-N,N-dimethylaniline

• ChemBase ID: 96372
• Molecular Formular: C8H9F2N
• Molecular Mass: 157.1605664
• Monoisotopic Mass: 157.07030573
• SMILES: N(c1c(cccc1F)F)(C)C
• Canonical SMILES: CN(c1c(F)cccc1F)C
• InChI: InChI=1S/C8H9F2N/c1-11(2)8-6(9)4-3-5-7(8)10/h3-5H,1-2H3
• InChIKey: UXHVBVCJFYGKEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-N,N-dimethylaniline
• IUPAC Traditional name: 2,6-difluoro-N,N-dimethylaniline
• Synonyms: N1,N1-dimethyl-2,6-difluoroaniline

Database IDs

• MDL Number: MFCD00832734
• PubChem SID: 162083021
• PubChem CID: 2781399

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3666935
• LogD (pH = 7.4): 2.3666935
• Log P: 2.3666935
• Molar Refractivity: 40.9194 cm^3
• Polarizability: 14.541198 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true