hexafluoropentanedioyl difluoride

• ChemBase ID: 8887
• Molecular Formular: C5F8O2
• Molecular Mass: 244.0395256
• Monoisotopic Mass: 243.977055
• SMILES: O=C(F)C(C(C(C(=O)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(=O)C(C(C(C(=O)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5F8O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15
• InChIKey: XAKMJUAGVWKMOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexafluoropentanedioyl difluoride
• IUPAC Traditional name: hexafluoropentanedioyl difluoride
• Synonyms: Hexafluoroglutaryl fluoride; Hexafluoroglutaryl fluoride 97%

Database IDs

• CAS Number: 678-78-4
• MDL Number: MFCD00054652
• PubChem SID: 160972194
• PubChem CID: 69622

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3296573
• LogD (pH = 7.4): 2.3296573
• Log P: 2.3296573
• Molar Refractivity: 26.8896 cm^3
• Polarizability: 10.474884 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 46-47°C
• Flash Point: none°C

Safety Information

• Storage Warning: CORROSIVE; Corrosive/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 97%