1,1,2,2-tetrafluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-2-(trifluoromethoxy)ethane

• ChemBase ID: 100861
• Molecular Formular: C6F14O3
• Molecular Mass: 386.0400448
• Monoisotopic Mass: 385.96238894
• SMILES: O(C(F)(F)F)C(F)(F)C(F)(F)OC(C(OC(F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(OC(F)(F)F)(F)F)(OC(C(OC(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6F14O3/c7-1(8,3(11,12)22-5(15,16)17)21-2(9,10)4(13,14)23-6(18,19)20
• InChIKey: YSGKVOMJRCQYMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetrafluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-2-(trifluoromethoxy)ethane
• IUPAC Traditional name: 1,1,2,2-tetrafluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-2-(trifluoromethoxy)ethane
• Synonyms: Perfluoro(diethylene glycol dimethyl ether); Perfluorodiglyme 98%

Database IDs

• CAS Number: 40891-99-4
• MDL Number: MFCD08458175
• PubChem SID: 162086967
• PubChem CID: 13511073

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.600719
• LogD (pH = 7.4): 6.600719
• Log P: 6.600719
• Molar Refractivity: 30.5741 cm^3
• Polarizability: 14.931382 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 66°C

Safety Information

• Storage Warning: Irritant