2,5-difluoro-4-methylaniline

• ChemBase ID: 288935
• Molecular Formular: C7H7F2N
• Molecular Mass: 143.1339864
• Monoisotopic Mass: 143.05465567
• SMILES: Cc1cc(F)c(N)cc1F
• Canonical SMILES: Cc1cc(F)c(cc1F)N
• InChI: InChI=1S/C7H7F2N/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,10H2,1H3
• InChIKey: CWBIWGJHOJZWBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-difluoro-4-methylaniline
• IUPAC Traditional name: 2,5-difluoro-4-methylaniline
• Synonyms: 2,5-Difluoro-4-methylaniline

Database IDs

• CAS Number: 878285-14-4
• MDL Number: MFCD11519027
• PubChem SID: 180674466
• PubChem CID: 46835660

CALCULATED PROPERTIES

• Acid pKa: 18.680494
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9430462
• LogD (pH = 7.4): 1.9431438
• Log P: 1.9431452
• Molar Refractivity: 36.2324 cm^3
• Polarizability: 12.656665 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%