2,2-difluoro-2-iodoacetyl fluoride

• ChemBase ID: 97659
• Molecular Formular: C2F3IO
• Molecular Mass: 223.9204796
• Monoisotopic Mass: 223.89459728
• SMILES: O=C(F)C(I)(F)F
• Canonical SMILES: FC(=O)C(I)(F)F
• InChI: InChI=1S/C2F3IO/c3-1(7)2(4,5)6
• InChIKey: GJZXYLHNHSDAKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoro-2-iodoacetyl fluoride
• IUPAC Traditional name: 2,2-difluoro-2-iodoacetyl fluoride
• Synonyms: Iododifluoroacetyl fluoride

Database IDs

• CAS Number: 44507-93-9
• MDL Number: MFCD04039281
• PubChem SID: 162084244
• PubChem CID: 2782517

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2317
• LogD (pH = 7.4): 1.2317
• Log P: 1.2317
• Molar Refractivity: 25.8521 cm^3
• Polarizability: 10.186553 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 40-41°C

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive