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Molecule
2,2,2-Trifluoroethyl Difluoromethyl Ether
CAS: 1885-48-9 · C3H3F5O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1885-48-9
- Molecular Formula
- C3H3F5O
- Molecular Mass
- 150.05 g/mol
Identifiers
CAS Registry Number
1885-48-9
SMILES
FC(F)OCC(F)(F)F
InChI Key
ZASBKNPRLPFSCA-UHFFFAOYSA-N
InChI
InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2
Names and Synonyms
- 2,2,2-Trifluoroethyl Difluoromethyl Ether Systematic Name
- Ethane, 2-(difluoromethoxy)-1,1,1-trifluoro- Synonym
- Ether, difluoromethyl 2,2,2-trifluoroethyl Synonym
- 2-(Difluoromethoxy)-1,1,1-trifluoroethane Synonym
- Difluoromethyl 2,2,2-trifluoroethyl ether Synonym
- 2,2,2-Trifluoroethyl difluoromethyl ether Synonym
- HFC-E 245 Synonym
- R-E 245fa1 Synonym
- HFE 245fa2 Synonym
- HFE 245mf Synonym
- E 245 Synonym
- RE 245 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.05 g/mol | CAS Common Chemistry |
| 150.046 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 150.010405816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 150.05 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H3F5O.
