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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 Weight:
146.083 g/mol
Names and Synonyms:
1-Ethoxy-1,1,2,2-Tetrafluoroethane
HFE 374
T 5202
HFE 374pc-f
1,1,2,2-Tetrafluoroethyl ethyl ether
Ethyl 1,1,2,2-tetrafluoroethyl ether
374pcEβγ
1-Ethoxy-1,1,2,2-tetrafluoroethane
Ether, ethyl 1,1,2,2-tetrafluoroethyl
Ethane, 1-ethoxy-1,1,2,2-tetrafluoro-
Identifiers:
SMILES:
CCOC(F)(F)C(F)F
InChI:
InChI=1S/C4H6F4O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 146.08 g/mol | Legacy Database |
| density | 1.20 g/cm³ | Legacy Database |
| cas-boiling-point | 57.5 °C None | Legacy Database |
| cas-canonical-smile | FC(F)C(F)(F)OCC None | Legacy Database |
| cas-density | 1.1978 g/cm3 @ Temp: 2 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H6F4O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=HBRLMDFVVMYNFH-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-Ethoxy-1,1,2,2-tetrafluoroethane None | Legacy Database |
| LogP | 1.8808000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.083 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.035477692 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 9.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 22.57699999999999 | RDKit |
