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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
Names and Synonyms:
Hexafluoropropylene Oxide
Oxirane, 2,2,3-trifluoro-3-(trifluoromethyl)-
Propane, 1,2-epoxy-1,1,2,3,3,3-hexafluoro-
Oxirane, trifluoro(trifluoromethyl)-
2,2,3-Trifluoro-3-(trifluoromethyl)oxirane
Hexafluoropropylene epoxide
Hexafluoropropylene oxide
Hexafluoropropene oxide
Perfluoropropylene oxide
Propylene oxide hexafluoride
(Trifluoromethyl)trifluorooxirane
Hexafluoropropene epoxide
Trifluoro(trifluoromethyl)oxirane
Hexafluoroepoxypropane
Hexafluoro-1,2-epoxypropane
Perfluoro(methyloxirane)
Perfluoropropene oxide
Hexafluoropropene-1,2-oxide
1,2-Epoxyhexafluoropropane
Perfluoropropene-1,2-oxide
Cheminox FAEP 6
Identifiers:
SMILES:
FC(F)(F)C1(F)OC1(F)F
InChI:
InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1
Key Properties
Boiling Point
-27.4 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.02 g/mol | CAS Common Chemistry |
| 166.01999999999998 g/mol | RDKit | |
| 165.98533394 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 | RDKit |
