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Molecule
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
Identifiers
CAS Registry Number
85737-06-0
SMILES
FC(F)=C(F)OC(F)(F)C(F)(F)Br
InChI Key
ZPYGRBTUNITHKJ-UHFFFAOYSA-N
InChI
InChI=1S/C4BrF7O/c5-3(9,10)4(11,12)13-2(8)1(6)7
Names and Synonyms
- 1-(2-Bromo-1,1,2,2-Tetrafluoroethoxy)-1,2,2-Trifluoroethene Systematic Name
- Ethene, 1-(2-bromo-1,1,2,2-tetrafluoroethoxy)-1,2,2-trifluoro- Synonym
- Ethene, (2-bromo-1,1,2,2-tetrafluoroethoxy)trifluoro- Synonym
- 1-(2-Bromo-1,1,2,2-tetrafluoroethoxy)-1,2,2-trifluoroethene Synonym
- Perfluoro(2-bromoethyl vinyl ether) Synonym
- 1-Bromo-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane Synonym
- 2-Bromotetrafluoroethyl trifluorovinyl ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 276.93 g/mol | CAS Common Chemistry |
| 276.933 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 |
| 3.6186 | RDKit | |
| 3.94 | chempirical lib | |
| Molar Refractivity | 30.256 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 275.90207426 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 276.93 g/mol. Edit any field — others recompute live.
