2-(2-fluorophenyl)aniline

• ChemBase ID: 19398
• Molecular Formular: C12H10FN
• Molecular Mass: 187.2129032
• Monoisotopic Mass: 187.07972755
• SMILES: c1(c2c(F)cccc2)c(N)cccc1
• Canonical SMILES: Fc1ccccc1c1ccccc1N
• InChI: InChI=1S/C12H10FN/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H,14H2
• InChIKey: FMELKKXQAQGQMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)aniline
• IUPAC Traditional name: 2-(2-fluorophenyl)aniline
• Synonyms: 2'-Fluoro[1,1'-biphenyl]-2-amine

Database IDs

• MDL Number: MFCD06802527
• PubChem SID: 160982705
• PubChem CID: 15500927

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9305606
• LogD (pH = 7.4): 2.9342005
• Log P: 2.9342473
• Molar Refractivity: 56.111 cm^3
• Polarizability: 22.101236 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