octadecafluoro-2,5,8,11-tetraoxadodecane

• ChemBase ID: 100860
• Molecular Formular: C8F18O4
• Molecular Mass: 502.0544576
• Monoisotopic Mass: 501.95091644
• SMILES: O(C(F)(F)C(OC(F)(F)C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(F)(F)F
• Canonical SMILES: FC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(OC(C(OC(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8F18O4/c9-1(10,27-3(13,14)5(17,18)29-7(21,22)23)2(11,12)28-4(15,16)6(19,20)30-8(24,25)26
• InChIKey: AVSJNFOUJLIQJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadecafluoro-2,5,8,11-tetraoxadodecane
• IUPAC Traditional name: octadecafluoro-2,5,8,11-tetraoxadodecane
• Synonyms: Perfluorotriglyme; Perfluoro(triethylene glycol dimethyl ether), 1,1,1,3,3,4,4,6,6,7,7,9,9,10,10,12,12,12-Octadecafluoro-2,5,8,11-tetraoxadodecane; Perfluoro-2,5,8,11-tetraoxadodecane 98%

Database IDs

• CAS Number: 64028-04-2
• MDL Number: MFCD08458174
• PubChem SID: 162087844
• PubChem CID: 13511074

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 8.250021
• LogD (pH = 7.4): 8.250021
• Log P: 8.250021
• Molar Refractivity: 42.7478 cm^3
• Polarizability: 19.594057 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 106°C

Safety Information

• Storage Warning: Harmful/Irritant