2-(3-fluorophenyl)ethanimidamide hydrochloride

• ChemBase ID: 245551
• Molecular Formular: C8H10ClFN2
• Molecular Mass: 188.6298032
• Monoisotopic Mass: 188.05165423
• SMILES: C(=N)(Cc1cc(F)ccc1)N.Cl
• Canonical SMILES: NC(=N)Cc1cccc(c1)F.Cl
• InChI: InChI=1S/C8H9FN2.ClH/c9-7-3-1-2-6(4-7)5-8(10)11;/h1-4H,5H2,(H3,10,11);1H
• InChIKey: BBFVSHCCQYWKSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenyl)ethanimidamide hydrochloride
• IUPAC Traditional name: 2-(3-fluorophenyl)ethanimidamide hydrochloride
• Synonyms: 2-(3-fluorophenyl)ethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD09260540
• PubChem SID: 164301461
• PubChem CID: 42614313

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3988559
• LogD (pH = 7.4): -1.397191
• Log P: 1.0165817
• Molar Refractivity: 51.9983 cm^3
• Polarizability: 15.533979 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): 0.647

Product Information

• Purity: 95%