2-(3,5-difluorophenyl)aniline

• ChemBase ID: 291028
• Molecular Formular: C12H9F2N
• Molecular Mass: 205.2033664
• Monoisotopic Mass: 205.07030573
• SMILES: Nc1ccccc1c1cc(F)cc(F)c1
• Canonical SMILES: Fc1cc(F)cc(c1)c1ccccc1N
• InChI: InChI=1S/C12H9F2N/c13-9-5-8(6-10(14)7-9)11-3-1-2-4-12(11)15/h1-7H,15H2
• InChIKey: CYILCTRYEHZDGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-difluorophenyl)aniline
• IUPAC Traditional name: 2-(3,5-difluorophenyl)aniline
• Synonyms: 3',5'-Difluoro-[1,1'-biphenyl]-2-amine

Database IDs

• CAS Number: 873056-60-1
• PubChem SID: 180676559
• PubChem CID: 54759101

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0736682
• LogD (pH = 7.4): 3.0769076
• Log P: 3.0769491
• Molar Refractivity: 56.3274 cm^3
• Polarizability: 21.707983 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%