Back to Search
Molecule
1,1-Dibromo-1,2,2,2-Tetrafluoroethane
CAS: 27336-23-8 · C2Br2F4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 27336-23-8
- Molecular Formula
- C2Br2F4
- Molecular Mass
- 259.82 g/mol
Identifiers
CAS Registry Number
27336-23-8
SMILES
FC(F)(F)C(F)(Br)Br
InChI Key
JLGADZLAECENGR-UHFFFAOYSA-N
InChI
InChI=1S/C2Br2F4/c3-1(4,5)2(6,7)8
Names and Synonyms
- 1,1-Dibromo-1,2,2,2-Tetrafluoroethane Systematic Name
- Ethane, 1,1-dibromo-1,2,2,2-tetrafluoro- Synonym
- Ethane, 1,1-dibromotetrafluoro- Synonym
- 1,1-Dibromo-1,2,2,2-tetrafluoroethane Synonym
- 1,1-Dibromotetrafluoroethane Synonym
- 1,1,1,2-Tetrafluoro-2,2-dibromoethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 259.82 g/mol | CAS Common Chemistry |
| 259.822 g/mol | RDKit | |
| Density | 2.75 g/cm³ | CAS Common Chemistry |
| 2.75 g/cm3 @ -192 °C | CAS Common Chemistry | |
| Boiling Point | 47.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(Br)Br | CAS Common Chemistry |
| InChI | InChI=1S/C2Br2F4/c3-1(4,5)2(6,7)8 | CAS Common Chemistry |
| InChI Key | InChIKey=JLGADZLAECENGR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -111.7 °C | CAS Common Chemistry |
| Name | 1,1-Dibromo-1,2,2,2-tetrafluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 2.9618 | RDKit |
| Molar Refractivity | 27.747999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 257.83028708 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 259.82 g/mol; density = 2.750 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2Br2F4.
