[4-(4-chlorophenyl)-2-fluorophenyl]methanamine

• ChemBase ID: 239562
• Molecular Formular: C13H11ClFN
• Molecular Mass: 235.6845432
• Monoisotopic Mass: 235.05640526
• SMILES: c1(cc(c2ccc(cc2)Cl)ccc1CN)F
• Canonical SMILES: NCc1ccc(cc1F)c1ccc(cc1)Cl
• InChI: InChI=1S/C13H11ClFN/c14-12-5-3-9(4-6-12)10-1-2-11(8-16)13(15)7-10/h1-7H,8,16H2
• InChIKey: GBTAMJDKRXHUDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(4-chlorophenyl)-2-fluorophenyl]methanamine
• IUPAC Traditional name: [4-(4-chlorophenyl)-2-fluorophenyl]methanamine
• Synonyms: [4-(4-chlorophenyl)-2-fluorophenyl]methanamine

Database IDs

• MDL Number: MFCD12824218
• PubChem SID: 164295472
• PubChem CID: 61026033

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5887388
• LogD (pH = 7.4): 1.9034129
• Log P: 3.4929862
• Molar Refractivity: 64.6888 cm^3
• Polarizability: 26.151146 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.838

Product Information

• Purity: 95%