1-(2,4-difluorophenyl)propan-1-amine

• ChemBase ID: 277297
• Molecular Formular: C9H11F2N
• Molecular Mass: 171.1871464
• Monoisotopic Mass: 171.0859558
• SMILES: c1(c(cc(cc1)F)F)C(N)CC
• Canonical SMILES: CCC(c1ccc(cc1F)F)N
• InChI: InChI=1S/C9H11F2N/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5,9H,2,12H2,1H3
• InChIKey: OPQILGGBYNHAGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4-difluorophenyl)propan-1-amine
• IUPAC Traditional name: 1-(2,4-difluorophenyl)propan-1-amine
• Synonyms: 1-(2,4-difluorophenyl)propan-1-amine

Database IDs

• MDL Number: MFCD11148452
• PubChem SID: 164333207
• PubChem CID: 43197761

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6325486
• LogD (pH = 7.4): 0.50007087
• Log P: 2.3235157
• Molar Refractivity: 43.907 cm^3
• Polarizability: 16.720522 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.218

Product Information

• Purity: 95%