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Molecule
1-Ethoxy-1,1,2,2-Tetrafluoroethane
CAS: 512-51-6 · C4H6F4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 512-51-6
- Molecular Formula
- C4H6F4O
- Molecular Mass
- 146.08 g/mol
Identifiers
CAS Registry Number
512-51-6
SMILES
CCOC(F)(F)C(F)F
InChI Key
HBRLMDFVVMYNFH-UHFFFAOYSA-N
InChI
InChI=1S/C4H6F4O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3
Names and Synonyms
- 1-Ethoxy-1,1,2,2-Tetrafluoroethane Systematic Name
- Ethane, 1-ethoxy-1,1,2,2-tetrafluoro- Synonym
- Ether, ethyl 1,1,2,2-tetrafluoroethyl Synonym
- 1-Ethoxy-1,1,2,2-tetrafluoroethane Synonym
- 374pcEβγ Synonym
- Ethyl 1,1,2,2-tetrafluoroethyl ether Synonym
- 1,1,2,2-Tetrafluoroethyl ethyl ether Synonym
- HFE 374pc-f Synonym
- T 5202 Synonym
- HFE 374 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.08 g/mol | CAS Common Chemistry |
| 146.083 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.1978 g/cm3 @ 2 °C | CAS Common Chemistry | |
| Boiling Point | 57.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)C(F)(F)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H6F4O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HBRLMDFVVMYNFH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Ethoxy-1,1,2,2-tetrafluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.8808000000000002 | RDKit |
| 1.8808 | RDKit | |
| Molar Refractivity | 22.57699999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 146.035477692 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
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MW = 146.08 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
