bis(4-fluorophenyl)methanamine hydrochloride

• ChemBase ID: 262319
• Molecular Formular: C13H12ClF2N
• Molecular Mass: 255.6908864
• Monoisotopic Mass: 255.06263351
• SMILES: C(c1ccc(cc1)F)(c1ccc(cc1)F)N.Cl
• Canonical SMILES: NC(c1ccc(cc1)F)c1ccc(cc1)F.Cl
• InChI: InChI=1S/C13H11F2N.ClH/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;/h1-8,13H,16H2;1H
• InChIKey: AWPKOVKVNCDQOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-fluorophenyl)methanamine hydrochloride
• IUPAC Traditional name: bis(4-fluorophenyl)methanamine hydrochloride
• Synonyms: bis(4-fluorophenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD12913130
• PubChem SID: 164318229
• PubChem CID: 25126461

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.28374678
• LogD (pH = 7.4): 1.6457921
• Log P: 3.1686583
• Molar Refractivity: 59.247 cm^3
• Polarizability: 22.588633 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 302 - 304°C
• Hydrophobicity(logP): 2.728

Product Information

• Purity: 95%