2,4-difluoro-6-phenylaniline

• ChemBase ID: 261742
• Molecular Formular: C12H9F2N
• Molecular Mass: 205.2033664
• Monoisotopic Mass: 205.07030573
• SMILES: c1(c(c(cc(c1)F)F)N)c1ccccc1
• Canonical SMILES: Fc1cc(F)c(c(c1)c1ccccc1)N
• InChI: InChI=1S/C12H9F2N/c13-9-6-10(12(15)11(14)7-9)8-4-2-1-3-5-8/h1-7H,15H2
• InChIKey: XRQBIJMAKJGKFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09042392
• PubChem SID: 164317652
• PubChem CID: 16768770

CALCULATED PROPERTIES

• Acid pKa: 18.292585
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0768445
• LogD (pH = 7.4): 3.0769477
• Log P: 3.0769491
• Molar Refractivity: 56.3274 cm^3
• Polarizability: 21.709803 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.387

Product Information

• Purity: 95%