2,2,3,3,4,4,5,5-octafluoropentanoyl iodide

• ChemBase ID: 98332
• Molecular Formular: C5HF8IO
• Molecular Mass: 355.9525356
• Monoisotopic Mass: 355.89443841
• SMILES: IC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
• Canonical SMILES: FC(C(C(C(C(=O)I)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C5HF8IO/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H
• InChIKey: JWVQIGLCDUFCNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5-octafluoropentanoyl iodide
• IUPAC Traditional name: 2,2,3,3,4,4,5,5-octafluoropentanoyl iodide
• Synonyms: 5H-Octafluorovaleroyl iodide; 5H-Octafluoropentanoyl iodide 97%

Database IDs

• MDL Number: MFCD00155903
• PubChem SID: 162084776
• PubChem CID: 2775879

CALCULATED PROPERTIES

• Acid pKa: 19.782104
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1927905
• LogD (pH = 7.4): 3.1927905
• Log P: 3.1927905
• Molar Refractivity: 37.8312 cm^3
• Polarizability: 15.723104 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive