2-fluoro-2-iodo-N-methylacetamide

• ChemBase ID: 12013
• Molecular Formular: C3H5FINO
• Molecular Mass: 216.9807732
• Monoisotopic Mass: 216.93999001
• SMILES: C(=O)(C(F)I)NC
• Canonical SMILES: CNC(=O)C(I)F
• InChI: InChI=1S/C3H5FINO/c1-6-3(7)2(4)5/h2H,1H3,(H,6,7)
• InChIKey: YTCJMPNDFGALAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-2-iodo-N-methylacetamide
• IUPAC Traditional name: 2-fluoro-2-iodo-N-methylacetamide
• Synonyms: N-Methyl iodofluoroacetamide; N-Methyl iodofluoroacetamide 98%

Database IDs

• CAS Number: 883499-47-6
• MDL Number: MFCD04038321
• PubChem SID: 160975320
• PubChem CID: 2782387

CALCULATED PROPERTIES

• Log P: 0.7413007
• Molar Refractivity: 31.9527 cm^3
• Polarizability: 12.836472 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 9.942744
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7412868
• LogD (pH = 7.4): 0.74019974

PROPERTIES

Safety Information

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

Product Information

• Purity: 98%