pentafluorobenzene-1-carboximidamide

• ChemBase ID: 797891
• Molecular Formular: C7H3F5N2
• Molecular Mass: 210.104136
• Monoisotopic Mass: 210.02163921
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)C(=N)N
• Canonical SMILES: Fc1c(F)c(C(=N)N)c(c(c1F)F)F
• InChI: InChI=1S/C7H3F5N2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H3,13,14)
• InChIKey: FIXVRHAXWQPALT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentafluorobenzene-1-carboximidamide
• IUPAC Traditional name: pentafluorobenzenecarboximidamide
• Synonyms: 2,3,4,5,6-Pentafluoro-benzamidine

Database IDs

• CAS Number: 885954-06-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.4897562
• LogD (pH = 7.4): 1.542852
• Log P: 1.607224
• Molar Refractivity: 48.8125 cm^3
• Polarizability: 13.248672 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%