2-(3,4-difluorophenyl)propan-2-amine

• ChemBase ID: 235555
• Molecular Formular: C9H11F2N
• Molecular Mass: 171.1871464
• Monoisotopic Mass: 171.0859558
• SMILES: c1(cc(c(cc1)F)F)C(N)(C)C
• Canonical SMILES: Fc1ccc(cc1F)C(N)(C)C
• InChI: InChI=1S/C9H11F2N/c1-9(2,12)6-3-4-7(10)8(11)5-6/h3-5H,12H2,1-2H3
• InChIKey: BKEJWQVDJHFFAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-difluorophenyl)propan-2-amine
• IUPAC Traditional name: 2-(3,4-difluorophenyl)propan-2-amine
• Synonyms: 2-(3,4-difluorophenyl)propan-2-amine

Database IDs

• CAS Number: 306761-17-1
• MDL Number: MFCD13189642
• PubChem SID: 164291465
• PubChem CID: 57685637

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.92560923
• LogD (pH = 7.4): -0.18314223
• Log P: 2.08157
• Molar Refractivity: 44.0212 cm^3
• Polarizability: 16.718193 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.018

Product Information

• Purity: 95%; 98%