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Molecule
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
Identifiers
CAS Registry Number
406-78-0
SMILES
FC(F)C(F)(F)OCC(F)(F)F
InChI Key
CWIFAKBLLXGZIC-UHFFFAOYSA-N
InChI
InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2
Names and Synonyms
- 1,1,2,2-Tetrafluoro-1-(2,2,2-Trifluoroethoxy)Ethane Systematic Name
- Ethane, 1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)- Synonym
- Ether, 1,1,2,2-tetrafluoroethyl 2,2,2-trifluoroethyl Synonym
- 1,1,2,2-Tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane Synonym
- 2,2,2-Trifluoroethyl 1,1,2,2-tetrafluoroethyl ether Synonym
- 347mcfEβγ Synonym
- 1-(2,2,2-Trifluoroethoxy)-1,1,2,2-tetrafluoroethane Synonym
- HFE 347pc-f Synonym
- HFE-S 7 Synonym
- 1,1,2,2-Tetrafluoroethyl 2,2,2-trifluoroethyl ether Synonym
- S 7 Synonym
- S 7 (ether) Synonym
- HFE 347 Synonym
- AE 3000 Synonym
- Asahiklin AE 3000 Synonym
- (2,2,2-Trifluoroethoxy)-1,1,2,2-tetrafluoroethane Synonym
- HFE 347pcf2 Synonym
- Asahiklin AE 3100 Synonym
- Asahiklin AE 3100E Synonym
- HFE 3400 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.05 g/mol | CAS Common Chemistry |
| 200.05299999999997 g/mol | RDKit | |
| 200.053 g/mol | RDKit | |
| Density | 1.49 g/cm³ | CAS Common Chemistry |
| 1.4874 g/cm3 @ 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 |
| 2.4232 | RDKit | |
| Molar Refractivity | 22.958 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 200.007212256 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
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 = 200.05 g/mol; density = 1.490 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H3F7O.
