(2,3,5,6-tetrafluorophenyl)methanamine hydrochloride

• ChemBase ID: 235871
• Molecular Formular: C7H6ClF4N
• Molecular Mass: 215.5758528
• Monoisotopic Mass: 215.01248976
• SMILES: c1(c(c(cc(c1F)F)F)F)CN.Cl
• Canonical SMILES: NCc1c(F)c(F)cc(c1F)F.Cl
• InChI: InChI=1S/C7H5F4N.ClH/c8-4-1-5(9)7(11)3(2-12)6(4)10;/h1H,2,12H2;1H
• InChIKey: ROEXYUJGMYZFMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3,5,6-tetrafluorophenyl)methanamine hydrochloride
• IUPAC Traditional name: (2,3,5,6-tetrafluorophenyl)methanamine hydrochloride
• Synonyms: (2,3,5,6-tetrafluorophenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD22196463
• PubChem SID: 164291781
• PubChem CID: 71755592

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9383765
• LogD (pH = 7.4): 0.711032
• Log P: 1.669822
• Molar Refractivity: 35.397 cm^3
• Polarizability: 12.8172 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 279 - 281°C
• Hydrophobicity(logP): 1.526

Product Information

• Purity: 95%