Bis(7-methoxycarbonylperfluoro-4,7-dimethyl-3,6-dioxaheptyl) disulfide
Basic information
- CAS
2244087-17-8- Standard SMILES
COC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)SSC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)OC)C(F)(F)F)C(F)(F)F)C(F)(F)F- InChIKey
PTMKQOJPJXPNJN-UHFFFAOYSA-N- Molecular formula
- C18H6F28O8S2
- Average molar mass
- 946.3 g/mol
Names & identifiers
- Preferred name
- Bis(7-methoxycarbonylperfluoro-4,7-dimethyl-3,6-dioxaheptyl) disulfide
- IUPAC
- methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[[1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2-tetrafluoro-3-methoxy-3-oxopropan-2-yl)oxypropan-2-yl]oxyethyl]disulfanyl]ethoxy]propoxy]propanoate
- English name
- Bis(7-methoxycarbonylperfluoro-4,7-dimethyl-3,6-dioxaheptyl) disulfide
- Molecular formula
- C18H6F28O8S2
- Molecular weight
- 946.3207296
Names & synonyms
2244087-17-8Bis(7-methoxycarbonylperfluoro-4,7-dimethyl-3,6-dioxaheptyl) disulfideC18H6F28O8S2MFCD31695503AKOS037621571methyl 2-[2-[2-[[2-[1-[difluoro-(1,2,2,2-tetrafluoro-1-methoxycarbonyl-ethoxy)methyl]-1,2,2,2-tetrafluoro-ethoxy]-1,1,2,2-tetrafluoro-ethyl]disulfanyl]-1,1,2,2-tetrafluoro-ethoxy]-1,1,2,3,3,3-hexafluoro-propoxy]-2,3,3,3-tetrafluoro-propanoate
Database identifiers
- CAS
2244087-17-8
Properties
Computed structural properties
- XLogP
- 10.5
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 38
- Rotatable bonds
- 19
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,310
Physicochemical properties
- Boiling point
- 528 · 528.0±50.0 °C(Predicted)
- Density
- 1.754 · 1.754±0.06 g/cm3(Predicted)
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Compound notes
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