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1-Methoxy-1,1,2,2-Tetrafluoroethane
CAS: 425-88-7 | C3H4F4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
425-88-7
Molecular Formula:
C3H4F4O
Molecular Mass:
132.06 g/mol
Names and Synonyms:
1-Methoxy-1,1,2,2-Tetrafluoroethane
Ethane, 1,1,2,2-tetrafluoro-1-methoxy-
Ether, methyl 1,1,2,2-tetrafluoroethyl
1,1,2,2-Tetrafluoro-1-methoxyethane
1,1,2,2-Tetrafluoroethyl methyl ether
Methyl 1,1,2,2-tetrafluoroethyl ether
1-Methoxy-1,1,2,2-tetrafluoroethane
HFE 254pc
HFE 254cb2
HFE 254
HFE 254CB1
Identifiers:
SMILES:
COC(F)(F)C(F)F
InChI:
InChI=1S/C3H4F4O/c1-8-3(6,7)2(4)5/h2H,1H3
Key Properties
Boiling Point
36 °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 | 132.06 g/mol | CAS Common Chemistry |
| 132.056 g/mol | RDKit | |
| 132.019827628 g/mol | RDKit | |
| Boiling Point | 36 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)C(F)(F)OC | CAS Common Chemistry |
| InChI | InChI=1S/C3H4F4O/c1-8-3(6,7)2(4)5/h2H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YQQHEHMVPLLOKE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Methoxy-1,1,2,2-tetrafluoroethane | 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 | 1.4907000000000001 | RDKit |
| Molar Refractivity | 17.96 | RDKit |
