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1-(2-Bromo-1,1,2,2-Tetrafluoroethoxy)-1,2,2-Trifluoroethene
CAS: 85737-06-0 | C4BrF7O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
85737-06-0
Molecular Formula:
C4BrF7O
Molecular Mass:
276.93 g/mol
Names and Synonyms:
1-(2-Bromo-1,1,2,2-Tetrafluoroethoxy)-1,2,2-Trifluoroethene
Ethene, 1-(2-bromo-1,1,2,2-tetrafluoroethoxy)-1,2,2-trifluoro-
Ethene, (2-bromo-1,1,2,2-tetrafluoroethoxy)trifluoro-
1-(2-Bromo-1,1,2,2-tetrafluoroethoxy)-1,2,2-trifluoroethene
Perfluoro(2-bromoethyl vinyl ether)
1-Bromo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane
2-Bromotetrafluoroethyl trifluorovinyl ether
Identifiers:
SMILES:
FC(F)=C(F)OC(F)(F)C(F)(F)Br
InChI:
InChI=1S/C4BrF7O/c5-3(9,10)4(11,12)13-2(8)1(6)7
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 | 276.93 g/mol | CAS Common Chemistry |
| 276.933 g/mol | RDKit | |
| 275.90207426 g/mol | RDKit | |
| Canonical SMILES | FC(F)=C(F)OC(F)(F)C(F)(F)Br | CAS Common Chemistry |
| InChI | InChI=1S/C4BrF7O/c5-3(9,10)4(11,12)13-2(8)1(6)7 | CAS Common Chemistry |
| InChI Key | InChIKey=ZPYGRBTUNITHKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(2-Bromo-1,1,2,2-tetrafluoroethoxy)-1,2,2-trifluoroethene | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 3.6186000000000003 | RDKit |
| Molar Refractivity | 30.256 | RDKit |
