2-(2,4-difluorophenyl)ethanimidamide hydrochloride

• ChemBase ID: 248783
• Molecular Formular: C8H9ClF2N2
• Molecular Mass: 206.6202664
• Monoisotopic Mass: 206.04223242
• SMILES: c1(c(CC(=N)N)ccc(c1)F)F.Cl
• Canonical SMILES: NC(=N)Cc1ccc(cc1F)F.Cl
• InChI: InChI=1S/C8H8F2N2.ClH/c9-6-2-1-5(3-8(11)12)7(10)4-6;/h1-2,4H,3H2,(H3,11,12);1H
• InChIKey: LFVIEXREUMMXGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-difluorophenyl)ethanimidamide hydrochloride
• IUPAC Traditional name: 2-(2,4-difluorophenyl)ethanimidamide hydrochloride
• Synonyms: 2-(2,4-difluorophenyl)ethanimidamide hydrochloride

Database IDs

• PubChem SID: 164304693
• PubChem CID: 19691339

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2561439
• LogD (pH = 7.4): -1.2536964
• Log P: 1.1592835
• Molar Refractivity: 52.2147 cm^3
• Polarizability: 15.292342 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 0.79

Product Information

• Purity: 95%