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Molecule
Hexafluoropropylene Oxide
CAS: 428-59-1 · C3F6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 428-59-1
- Molecular Formula
- C3F6O
- Molecular Mass
- 166.02 g/mol
Identifiers
CAS Registry Number
428-59-1
SMILES
FC(F)(F)C1(F)OC1(F)F
InChI Key
PGFXOWRDDHCDTE-UHFFFAOYSA-N
InChI
InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1
Names and Synonyms
- Hexafluoropropylene Oxide Synonym
- Oxirane, 2,2,3-trifluoro-3-(trifluoromethyl)- Synonym
- Propane, 1,2-epoxy-1,1,2,3,3,3-hexafluoro- Synonym
- Oxirane, trifluoro(trifluoromethyl)- Synonym
- 2,2,3-Trifluoro-3-(trifluoromethyl)oxirane Synonym
- Hexafluoropropylene epoxide Synonym
- Hexafluoropropylene oxide Synonym
- Hexafluoropropene oxide Synonym
- Perfluoropropylene oxide Synonym
- Propylene oxide hexafluoride Synonym
- (Trifluoromethyl)trifluorooxirane Synonym
- Hexafluoropropene epoxide Synonym
- Trifluoro(trifluoromethyl)oxirane Synonym
- Hexafluoroepoxypropane Synonym
- Hexafluoro-1,2-epoxypropane Synonym
- Perfluoro(methyloxirane) Synonym
- Perfluoropropene oxide Synonym
- Hexafluoropropene-1,2-oxide Synonym
- 1,2-Epoxyhexafluoropropane Synonym
- Perfluoropropene-1,2-oxide Synonym
- Cheminox FAEP 6 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.02 g/mol | CAS Common Chemistry |
| 166.01999999999998 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexafluoropropylene_oxide | CAS Common Chemistry |
| Boiling Point | -27.4 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C1(F)OC1(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1 | CAS Common Chemistry |
| InChI Key | InChIKey=PGFXOWRDDHCDTE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hexafluoropropylene oxide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 1.8375 | RDKit |
| Molar Refractivity | 15.926 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 165.98533394 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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.
External Resources
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MW = 166.02 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3F6O.
