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Molecule
2,3-Dichloro-1,1,1,4,4,4-Hexafluoro-2-Butene
CAS: 303-04-8 · C4Cl2F6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 303-04-8
- Molecular Formula
- C4Cl2F6
- Molecular Mass
- 232.94 g/mol
Identifiers
CAS Registry Number
303-04-8
SMILES
FC(F)(F)C(Cl)=C(Cl)C(F)(F)F
InChI Key
XDIDQEGAKCWQQP-UHFFFAOYSA-N
InChI
InChI=1S/C4Cl2F6/c5-1(3(7,8)9)2(6)4(10,11)12
Names and Synonyms
- 2,3-Dichloro-1,1,1,4,4,4-Hexafluoro-2-Butene Synonym
- 2-Butene, 2,3-dichloro-1,1,1,4,4,4-hexafluoro- Synonym
- 2-Butene, 2,3-dichlorohexafluoro- Synonym
- 2,3-Dichloro-1,1,1,4,4,4-hexafluoro-2-butene Synonym
- 2,3-Dichlorohexafluoro-2-butene Synonym
- 1,1,1,4,4,4-Hexafluoro-2,3-dichloro-2-butene Synonym
- CFC 1316 Synonym
- CFC 1316mxx Synonym
- 1,1,1,4,4,4-Hexafluoro-2,3-dichlorobutene Synonym
- R 1316 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.94 g/mol | CAS Common Chemistry |
| 232.938 g/mol | RDKit | |
| 232.932 g/mol | chempirical lib | |
| Boiling Point | 68.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(Cl)=C(Cl)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4Cl2F6/c5-1(3(7,8)9)2(6)4(10,11)12 | CAS Common Chemistry |
| InChI Key | InChIKey=XDIDQEGAKCWQQP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -67.3 °C | CAS Common Chemistry |
| Name | 2,3-Dichloro-1,1,1,4,4,4-hexafluoro-2-butene | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 3.8002 | RDKit |
| Molar Refractivity | 30.842000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 231.92812468 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 232.94 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4Cl2F6.
