4-fluoro-2-(4-fluorophenyl)aniline

• ChemBase ID: 270120
• Molecular Formular: C12H9F2N
• Molecular Mass: 205.2033664
• Monoisotopic Mass: 205.07030573
• SMILES: c1(c2ccc(cc2)F)c(ccc(c1)F)N
• Canonical SMILES: Fc1ccc(cc1)c1cc(F)ccc1N
• InChI: InChI=1S/C12H9F2N/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H,15H2
• InChIKey: UISDZSQMKDJQDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-2-(4-fluorophenyl)aniline
• IUPAC Traditional name: 4-fluoro-2-(4-fluorophenyl)aniline
• Synonyms: 4-fluoro-2-(4-fluorophenyl)aniline

Database IDs

• MDL Number: MFCD12824069
• PubChem SID: 164326030
• PubChem CID: 19600599

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0736496
• LogD (pH = 7.4): 3.0769074
• Log P: 3.0769491
• Molar Refractivity: 56.3274 cm^3
• Polarizability: 21.706354 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.389

Product Information

• Purity: 95%