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Molecule
1-[1-[Difluoro[(1,2,2-Trifluoroethenyl)Oxy]Methyl]-1,2,2,2-Tetrafluoroethoxy]-1,1,2,2,3,3,3-Heptafluoropropane
CAS: 1644-11-7 · C8F16O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1644-11-7
- Molecular Formula
- C8F16O2
- Molecular Mass
- 432.05 g/mol
Identifiers
CAS Registry Number
1644-11-7
SMILES
FC(F)=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChI Key
RJBJXVAPYONTFE-UHFFFAOYSA-N
InChI
InChI=1S/C8F16O2/c9-1(10)2(11)25-8(23,24)4(14,6(18,19)20)26-7(21,22)3(12,13)5(15,16)17
Names and Synonyms
- 1-[1-[Difluoro[(1,2,2-Trifluoroethenyl)Oxy]Methyl]-1,2,2,2-Tetrafluoroethoxy]-1,1,2,2,3,3,3-Heptafluoropropane Systematic Name
- Propane, 1-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,3-heptafluoro- Synonym
- Propane, 1-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,3-heptafluoro- Synonym
- Propane, 1,1,1,2,3,3-hexafluoro-2-(heptafluoropropoxy)-3-[(trifluorovinyl)oxy]- Synonym
- 1-[1-[Difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,3-heptafluoropropane Synonym
- 1,1,2,4,4,5,7,7,8,8,9,9,9-Tridecafluoro-3,6-dioxa-5-trifluoromethyl-non-1-ene Synonym
- 1,1,1,2,2,3,3-Heptafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluorovinyloxy)propan-2-yloxy]propane Synonym
- Perfluoro(2-propoxypropyl vinyl ether) Synonym
- Perfluoro[2-(propoxy)propyl] perfluorovinyl ether Synonym
- Perfluoro-5-methyl-3,6-dioxanon-1-ene Synonym
- 1,1,1,2,3,3-Hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane Synonym
- P 1226 Synonym
- 2-(Perfluoropropoxy)perfluoropropyl trifluorovinyl ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 432.05 g/mol | CAS Common Chemistry |
| 432.0539999999999 g/mol | RDKit | |
| 432.054 g/mol | RDKit | |
| Boiling Point | 103 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C8F16O2/c9-1(10)2(11)25-8(23,24)4(14,6(18,19)20)26-7(21,22)3(12,13)5(15,16)17 | CAS Common Chemistry |
| InChI Key | InChIKey=RJBJXVAPYONTFE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-[1-[Difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,3-heptafluoropropane | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 5.666000000000002 | RDKit |
| 5.666 | RDKit | |
| Molar Refractivity | 43.30999999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 431.96428076 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 432.05 g/mol. Edit any field — others recompute live.
