Back to Search
Molecule
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
Identifiers
CAS Registry Number
425-88-7
SMILES
COC(F)(F)C(F)F
InChI Key
YQQHEHMVPLLOKE-UHFFFAOYSA-N
InChI
InChI=1S/C3H4F4O/c1-8-3(6,7)2(4)5/h2H,1H3
Names and Synonyms
- 1-Methoxy-1,1,2,2-Tetrafluoroethane Synonym
- Ethane, 1,1,2,2-tetrafluoro-1-methoxy- Synonym
- Ether, methyl 1,1,2,2-tetrafluoroethyl Synonym
- 1,1,2,2-Tetrafluoro-1-methoxyethane Synonym
- 1,1,2,2-Tetrafluoroethyl methyl ether Synonym
- Methyl 1,1,2,2-tetrafluoroethyl ether Synonym
- 1-Methoxy-1,1,2,2-tetrafluoroethane Synonym
- HFE 254pc Synonym
- HFE 254cb2 Synonym
- HFE 254 Synonym
- HFE 254CB1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.06 g/mol | CAS Common Chemistry |
| 132.056 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 |
| 1.4907 | RDKit | |
| Molar Refractivity | 17.96 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 132.019827628 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 132.06 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H4F4O.
