2,2-difluoro-1-phenylethan-1-amine hydrochloride

• ChemBase ID: 811185
• Molecular Formular: C8H10ClF2N
• Molecular Mass: 193.6215064
• Monoisotopic Mass: 193.04698345
• SMILES: Cl.NC(C(F)F)c1ccccc1
• Canonical SMILES: NC(c1ccccc1)C(F)F.Cl
• InChI: InChI=1S/C8H9F2N.ClH/c9-8(10)7(11)6-4-2-1-3-5-6;/h1-5,7-8H,11H2;1H
• InChIKey: PRPURMZIWSKOBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoro-1-phenylethan-1-amine hydrochloride
• IUPAC Traditional name: 2,2-difluoro-1-phenylethanamine hydrochloride
• Synonyms: 2,2-DIFLUORO-1-PHENYL-ETHYLAMINE HCL

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.024560357
• LogD (pH = 7.4): 1.4286095
• Log P: 1.6251171
• Molar Refractivity: 38.762 cm^3
• Polarizability: 14.956894 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%