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3-(1,1,2,2-Tetrafluoroethoxy)-1-Propene
CAS: 1428-33-7 | C5H6F4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1428-33-7
Molecular Formula:
C5H6F4O
Molecular Mass:
158.09 g/mol
Names and Synonyms:
3-(1,1,2,2-Tetrafluoroethoxy)-1-Propene
1-Propene, 3-(1,1,2,2-tetrafluoroethoxy)-
Ether, allyl 1,1,2,2-tetrafluoroethyl
3-(1,1,2,2-Tetrafluoroethoxy)-1-propene
Allyl 1,1,2,2-tetrafluoroethyl ether
1,1,2,2-Tetrafluoroethyl allyl ether
Identifiers:
SMILES:
C=CCOC(F)(F)C(F)F
InChI:
InChI=1S/C5H6F4O/c1-2-3-10-5(8,9)4(6)7/h2,4H,1,3H2
Key Properties
Boiling Point
74 °C @ Press: 739 Torr
CAS Common Chemistry
Density
1.20 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 | 158.09 g/mol | CAS Common Chemistry |
| 158.094 g/mol | RDKit | |
| 158.035477692 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.2043 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 74 °C @ Press: 739 Torr | CAS Common Chemistry |
| Canonical SMILES | FC(F)C(F)(F)OCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C5H6F4O/c1-2-3-10-5(8,9)4(6)7/h2,4H,1,3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DTDFWYZVBJYVPL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-(1,1,2,2-Tetrafluoroethoxy)-1-propene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.0469 | RDKit |
| Molar Refractivity | 27.099999999999994 | RDKit |
