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Molecule
1,1-Dibromo-2,2-Difluoroethene
CAS: 430-85-3 · C2Br2F2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 430-85-3
- Molecular Formula
- C2Br2F2
- Molecular Mass
- 221.83 g/mol
Identifiers
CAS Registry Number
430-85-3
SMILES
FC(F)=C(Br)Br
InChI Key
VTFPVQZQUFXLFH-UHFFFAOYSA-N
InChI
InChI=1S/C2Br2F2/c3-1(4)2(5)6
Names and Synonyms
- 1,1-Dibromo-2,2-Difluoroethene Synonym
- Ethene, 1,1-dibromo-2,2-difluoro- Synonym
- Ethylene, 1,1-dibromo-2,2-difluoro- Synonym
- 1,1-Dibromo-2,2-difluoroethene Synonym
- 1,1-Dibromo-2,2-difluoroethylene Synonym
- 1,1-Dibromodifluoroethene Synonym
- 1,1-Dibromodifluoroethylene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 221.83 g/mol | CAS Common Chemistry |
| 221.826 g/mol | RDKit | |
| Density | 2.29 g/cm³ | CAS Common Chemistry |
| 2.29 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | FC(F)=C(Br)Br | CAS Common Chemistry |
| InChI | InChI=1S/C2Br2F2/c3-1(4)2(5)6 | CAS Common Chemistry |
| InChI Key | InChIKey=VTFPVQZQUFXLFH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dibromo-2,2-difluoroethene | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.8418 | RDKit |
| 2.76 | chempirical lib | |
| Molar Refractivity | 27.096 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 219.83348064 g/mol | RDKit |
| Boiling Point | 66.2 °C @ 700 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 221.83 g/mol; density = 2.290 g/mL. Edit any field — others recompute live.
