3,5-difluorobenzene-1-carboximidamide

• ChemBase ID: 799601
• Molecular Formular: C7H6F2N2
• Molecular Mass: 156.1327464
• Monoisotopic Mass: 156.04990464
• SMILES: c1(cc(cc(c1)F)F)C(=N)N
• Canonical SMILES: NC(=N)c1cc(F)cc(c1)F
• InChI: InChI=1S/C7H6F2N2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H3,10,11)
• InChIKey: OCOJRZRBYPOQET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-difluorobenzene-1-carboximidamide
• IUPAC Traditional name: 3,5-difluorobenzenecarboximidamide
• Synonyms: 3,5-difluorobenzimidamide

Database IDs

• CAS Number: 582307-06-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2343078
• LogD (pH = 7.4): -1.0989386
• Log P: 1.1791182
• Molar Refractivity: 48.1633 cm^3
• Polarizability: 13.472373 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%