3,5-difluoro-4-methylaniline

• ChemBase ID: 291668
• Molecular Formular: C7H7F2N
• Molecular Mass: 143.1339864
• Monoisotopic Mass: 143.05465567
• SMILES: Nc1cc(F)c(C)c(F)c1
• Canonical SMILES: Nc1cc(F)c(c(c1)F)C
• InChI: InChI=1S/C7H7F2N/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3
• InChIKey: QPIOXIGUXPBDHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-difluoro-4-methylaniline
• IUPAC Traditional name: 3,5-difluoro-4-methylaniline
• Synonyms: 3,5-Difluoro-4-methylaniline

Database IDs

• CAS Number: 878285-13-3
• MDL Number: MFCD03094196
• PubChem SID: 180677199
• PubChem CID: 2737656

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9423206
• LogD (pH = 7.4): 1.9431348
• Log P: 1.9431452
• Molar Refractivity: 36.2324 cm^3
• Polarizability: 12.656436 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%