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Molecule
2-Bromo-1,1-Difluoroethane
CAS: 359-07-9 · C2H3BrF2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 359-07-9
- Molecular Formula
- C2H3BrF2
- Molecular Mass
- 144.95 g/mol
Identifiers
CAS Registry Number
359-07-9
SMILES
FC(F)CBr
InChI Key
JVYROUWXXSWCMI-UHFFFAOYSA-N
InChI
InChI=1S/C2H3BrF2/c3-1-2(4)5/h2H,1H2
Names and Synonyms
- 2-Bromo-1,1-Difluoroethane Systematic Name
- Ethane, 2-bromo-1,1-difluoro- Synonym
- 2-Bromo-1,1-difluoroethane Synonym
- 2,2-Difluoroethyl bromide Synonym
- 1-Bromo-2,2-difluoroethane Synonym
- 2,2-Difluoro-1-bromoethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.95 g/mol | CAS Common Chemistry |
| 144.946 g/mol | RDKit | |
| Boiling Point | 57.3 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)CBr | CAS Common Chemistry |
| InChI | InChI=1S/C2H3BrF2/c3-1-2(4)5/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JVYROUWXXSWCMI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -75 °C | CAS Common Chemistry |
| Name | 2-Bromo-1,1-difluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.6464 | RDKit |
| Molar Refractivity | 19.797999999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 143.938618636 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.
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MW = 144.95 g/mol. Edit any field — others recompute live.
