1-[difluoro(iodo)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane

• ChemBase ID: 97529
• Molecular Formular: C4F9IO2
• Molecular Mass: 377.9316988
• Monoisotopic Mass: 377.87993122
• SMILES: O(C(F)(F)C(OC(I)(F)F)(F)F)C(F)(F)F
• Canonical SMILES: FC(OC(C(OC(I)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C4F9IO2/c5-1(6,15-3(9,10)11)2(7,8)16-4(12,13)14
• InChIKey: HWWASZGFIYQTSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[difluoro(iodo)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
• IUPAC Traditional name: 1-[difluoro(iodo)methoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
• Synonyms: 6-Iodononafluoro-2,5-dioxahexane 97%

Database IDs

• MDL Number: MFCD00155886
• PubChem SID: 162084136
• PubChem CID: 2775166

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.6657
• LogD (pH = 7.4): 5.6657
• Log P: 5.6657
• Molar Refractivity: 34.788 cm^3
• Polarizability: 15.6493025 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant