(4-fluorophenyl)[3-(trifluoromethyl)phenyl]methanamine hydrochloride

• ChemBase ID: 268206
• Molecular Formular: C14H12ClF4N
• Molecular Mass: 305.6983928
• Monoisotopic Mass: 305.05943995
• SMILES: C(c1cc(C(c2ccc(cc2)F)N)ccc1)(F)(F)F.Cl
• Canonical SMILES: Fc1ccc(cc1)C(c1cccc(c1)C(F)(F)F)N.Cl
• InChI: InChI=1S/C14H11F4N.ClH/c15-12-6-4-9(5-7-12)13(19)10-2-1-3-11(8-10)14(16,17)18;/h1-8,13H,19H2;1H
• InChIKey: HPSAPYMMTRSPSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)[3-(trifluoromethyl)phenyl]methanamine hydrochloride
• IUPAC Traditional name: (4-fluorophenyl)[3-(trifluoromethyl)phenyl]methanamine hydrochloride
• Synonyms: (4-fluorophenyl)[3-(trifluoromethyl)phenyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD16622065
• PubChem SID: 164324116
• PubChem CID: 47003250

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0326555
• LogD (pH = 7.4): 2.4240975
• Log P: 3.9038048
• Molar Refractivity: 65.0043 cm^3
• Polarizability: 24.00536 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 279 - 281°C
• Hydrophobicity(logP): 3.468

Product Information

• Purity: 95%