4-(4-fluorophenyl)aniline

• ChemBase ID: 30496
• Molecular Formular: C12H10FN
• Molecular Mass: 187.2129032
• Monoisotopic Mass: 187.07972755
• SMILES: c1(c2ccc(cc2)F)ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)c1ccc(cc1)F
• InChI: InChI=1S/C12H10FN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2
• InChIKey: HTRVALPKPVGOSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenyl)aniline
• IUPAC Traditional name: 4-biphenylamine, 4'-fluoro-
• Synonyms: 4'-FLUORO-4-AMINOBIPHENYL; 4'-Fluoro-[1,1'-biphenyl]-4-amine; 4-AMINO-4'-FLUOROBIPHENYL; 4'-Fluoro-biphenyl-4-ylamine

Database IDs

• CAS Number: 324-93-6
• MDL Number: MFCD00025338
• PubChem SID: 160993803
• PubChem CID: 9462

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9210331
• LogD (pH = 7.4): 2.9340782
• Log P: 2.9342473
• Molar Refractivity: 56.111 cm^3
• Polarizability: 22.091171 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%