2,6-difluoro-4-methylaniline

• ChemBase ID: 244286
• Molecular Formular: C7H7F2N
• Molecular Mass: 143.1339864
• Monoisotopic Mass: 143.05465567
• SMILES: c1(c(cc(cc1F)C)F)N
• Canonical SMILES: Cc1cc(F)c(c(c1)F)N
• InChI: InChI=1S/C7H7F2N/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
• InChIKey: GKJBNEFMCNLWEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-4-methylaniline
• IUPAC Traditional name: 2,6-difluoro-4-methylaniline
• Synonyms: 2,6-difluoro-4-methylaniline

Database IDs

• CAS Number: 1379028-84-8
• MDL Number: MFCD18910167
• PubChem SID: 164300196
• PubChem CID: 21304359

CALCULATED PROPERTIES

• Acid pKa: 15.389002
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9431243
• LogD (pH = 7.4): 1.9431449
• Log P: 1.9431452
• Molar Refractivity: 36.2324 cm^3
• Polarizability: 12.656104 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.918

Product Information

• Purity: 95%; 95+%