2-fluoro-2-iodoacetamide

• ChemBase ID: 11989
• Molecular Formular: C2H3FINO
• Molecular Mass: 202.9541932
• Monoisotopic Mass: 202.92433994
• SMILES: C(=O)(C(I)F)N
• Canonical SMILES: NC(=O)C(I)F
• InChI: InChI=1S/C2H3FINO/c3-1(4)2(5)6/h1H,(H2,5,6)
• InChIKey: IOBAQRIPIOXEBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-2-iodoacetamide
• IUPAC Traditional name: 2-fluoro-2-iodoacetamide
• Synonyms: Fluoroiodoacetamide; Iodofluoroacetamide 98%

Database IDs

• CAS Number: 431-13-0
• MDL Number: MFCD04038312
• PubChem SID: 160975296
• PubChem CID: 2782378

CALCULATED PROPERTIES

• Acid pKa: 10.142593
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.51763344
• LogD (pH = 7.4): 0.518324
• Log P: 0.5176246
• Molar Refractivity: 27.056 cm^3
• Polarizability: 11.119315 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%