Back to Search
Fluroxene
CAS: 406-90-6 | C4H5F3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
406-90-6
Molecular Formula:
C4H5F3O
Molecular Mass:
126.08 g/mol
Names and Synonyms:
Fluroxene
Ethene, (2,2,2-trifluoroethoxy)-
Ether, 2,2,2-trifluoroethyl vinyl
(2,2,2-Trifluoroethoxy)ethene
Fluoromar
Fluoroxene
Fluroxene
2,2,2-Trifluoroethyl vinyl ether
Trifluoroethyl vinyl ether
2-Ethenoxy-1,1,1-trifluoroethane
Identifiers:
SMILES:
C=COCC(F)(F)F
InChI:
InChI=1S/C4H5F3O/c1-2-8-3-4(5,6)7/h2H,1,3H2
Key Properties
Boiling Point
42.5 °C
CAS Common Chemistry
Density
1.14 g/cm³
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 | 126.08 g/mol | CAS Common Chemistry |
| 126.07700000000001 g/mol | RDKit | |
| 126.02924944 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.135 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 42.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)COC=C | CAS Common Chemistry |
| InChI | InChI=1S/C4H5F3O/c1-2-8-3-4(5,6)7/h2H,1,3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DLEGDLSLRSOURQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Fluroxene | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.7087999999999999 | RDKit |
| Molar Refractivity | 22.203999999999994 | RDKit |
