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1,1,2,2-Tetrafluoro-1-(2,2,2-Trifluoroethoxy)Ethane
CAS: 406-78-0 | C4H3F7O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
406-78-0
Molecular Formula:
C4H3F7O
Molecular Mass:
200.05 g/mol
Names and Synonyms:
1,1,2,2-Tetrafluoro-1-(2,2,2-Trifluoroethoxy)Ethane
Ethane, 1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)-
Ether, 1,1,2,2-tetrafluoroethyl 2,2,2-trifluoroethyl
1,1,2,2-Tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane
2,2,2-Trifluoroethyl 1,1,2,2-tetrafluoroethyl ether
347mcfEβγ
1-(2,2,2-Trifluoroethoxy)-1,1,2,2-tetrafluoroethane
HFE 347pc-f
HFE-S 7
1,1,2,2-Tetrafluoroethyl 2,2,2-trifluoroethyl ether
S 7
S 7 (ether)
HFE 347
AE 3000
Asahiklin AE 3000
(2,2,2-Trifluoroethoxy)-1,1,2,2-tetrafluoroethane
HFE 347pcf2
Asahiklin AE 3100
Asahiklin AE 3100E
HFE 3400
Identifiers:
SMILES:
FC(F)C(F)(F)OCC(F)(F)F
InChI:
InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2
Key Properties
Boiling Point
56.2 °C
CAS Common Chemistry
Density
1.49 g/cm³
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 | 200.05 g/mol | CAS Common Chemistry |
| 200.05299999999997 g/mol | RDKit | |
| 200.007212256 g/mol | RDKit | |
| Density | 1.49 g/cm³ | CAS Common Chemistry |
| 1.4874 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 56.2 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)C(F)(F)OCC(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CWIFAKBLLXGZIC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,2,2-Tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 2.4232000000000005 | RDKit |
| Molar Refractivity | 22.958 | RDKit |
