2-fluoro-2-iodoacetonitrile

• ChemBase ID: 96951
• Molecular Formular: C2HFIN
• Molecular Mass: 184.9389132
• Monoisotopic Mass: 184.91377526
• SMILES: N#CC(F)I
• Canonical SMILES: FC(C#N)I
• InChI: InChI=1S/C2HFIN/c3-2(4)1-5/h2H
• InChIKey: PLTKTEWMOUTMMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-2-iodoacetonitrile
• IUPAC Traditional name: 2-fluoro-2-iodoacetonitrile
• Synonyms: Fluoroiodoacetonitrile 97%

Database IDs

• CAS Number: 885276-30-2
• MDL Number: MFCD07784279
• PubChem SID: 162083595
• PubChem CID: 44717405

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3825161
• LogD (pH = 7.4): 1.3825161
• Log P: 1.3825161
• Molar Refractivity: 24.2131 cm^3
• Polarizability: 9.708233 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true