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2,2,2-Trifluoroethyl Difluoromethyl Ether
CAS: 1885-48-9 | C3H3F5O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1885-48-9
Molecular Formula:
C3H3F5O
Molecular Mass:
150.05 g/mol
Names and Synonyms:
2,2,2-Trifluoroethyl Difluoromethyl Ether
Ethane, 2-(difluoromethoxy)-1,1,1-trifluoro-
Ether, difluoromethyl 2,2,2-trifluoroethyl
2-(Difluoromethoxy)-1,1,1-trifluoroethane
Difluoromethyl 2,2,2-trifluoroethyl ether
2,2,2-Trifluoroethyl difluoromethyl ether
HFC-E 245
R-E 245fa1
HFE 245fa2
HFE 245mf
E 245
RE 245
Identifiers:
SMILES:
FC(F)OCC(F)(F)F
InChI:
InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2
Key Properties
Boiling Point
29.3 °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 | 150.05 g/mol | CAS Common Chemistry |
| 150.046 g/mol | RDKit | |
| 150.010405816 g/mol | RDKit | |
| Boiling Point | 29.3 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)OCC(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZASBKNPRLPFSCA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2,2-Trifluoroethyl difluoromethyl ether | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 1.7879 | RDKit |
| Molar Refractivity | 18.011 | RDKit |
