(2-cyano-3-fluorophenyl)(iodo)zinc

• ChemBase ID: 99167
• Molecular Formular: C7H3FINZn
• Molecular Mass: 312.3882932
• Monoisotopic Mass: 310.85856732
• SMILES: [Zn](c1c(c(ccc1)F)C#N)I
• Canonical SMILES: I[Zn]c1cccc(c1C#N)F
• InChI: InChI=1S/C7H3FN.HI.Zn/c8-7-4-2-1-3-6(7)5-9;;/h1-2,4H;1H;/q;;+1/p-1
• InChIKey: GGDNONBEWNTUSN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-cyano-3-fluorophenyl)(iodo)zinc
• IUPAC Traditional name: (2-cyano-3-fluorophenyl)(iodo)zinc
• Synonyms: 2-Cyano-3-fluorophenylzinc iodide 0.5M solution in THF

Database IDs

• MDL Number: MFCD01319869
• PubChem SID: 162085458
• PubChem CID: 2778639

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1453
• LogD (pH = 7.4): 2.1453
• Log P: 2.1453
• Molar Refractivity: 44.7531 cm^3
• Polarizability: 20.555054 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable