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2-Chloro-1-Ethoxy-1,1,2-Trifluoroethane
CAS: 310-71-4 | C4H6ClF3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
310-71-4
Molecular Formula:
C4H6ClF3O
Molecular Mass:
162.54 g/mol
Names and Synonyms:
2-Chloro-1-Ethoxy-1,1,2-Trifluoroethane
Ethane, 2-chloro-1-ethoxy-1,1,2-trifluoro-
Ether, 2-chloro-1,1,2-trifluoroethyl ethyl
2-Chloro-1-ethoxy-1,1,2-trifluoroethane
Ethoxyflurane
2-Chloro-1,1,2-trifluoroethyl ethyl ether
Identifiers:
SMILES:
CCOC(F)(F)C(F)Cl
InChI:
InChI=1S/C4H6ClF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3
Key Properties
Boiling Point
82 °C @ Press: 630 Torr
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 | 162.54 g/mol | CAS Common Chemistry |
| 162.538 g/mol | RDKit | |
| 162.005927152 g/mol | RDKit | |
| Boiling Point | 82 °C @ Press: 630 Torr | CAS Common Chemistry |
| Canonical SMILES | FC(Cl)C(F)(F)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H6ClF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WOKICPFFJCXEDW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Chloro-1-ethoxy-1,1,2-trifluoroethane | 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 | 2.1501 | RDKit |
| Molar Refractivity | 27.321999999999992 | RDKit |
