2-(3,4-difluorophenyl)ethanimidamide

• ChemBase ID: 799603
• Molecular Formular: C8H8F2N2
• Molecular Mass: 170.1593264
• Monoisotopic Mass: 170.06555471
• SMILES: C(C(=N)N)c1cc(c(cc1)F)F
• Canonical SMILES: NC(=N)Cc1ccc(c(c1)F)F
• InChI: InChI=1S/C8H8F2N2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H3,11,12)
• InChIKey: MOEFTLQZLSGPAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-difluorophenyl)ethanimidamide
• IUPAC Traditional name: 2-(3,4-difluorophenyl)ethanimidamide
• Synonyms: 2-(3,4-difluorophenyl)acetimidamide

Database IDs

• CAS Number: 885965-89-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2561547
• LogD (pH = 7.4): -1.2545408
• Log P: 1.1592835
• Molar Refractivity: 52.2147 cm^3
• Polarizability: 15.290428 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%