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Molecule
1,2-Dichlorohexafluorocyclobutane
CAS: 356-18-3 · C4Cl2F6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 356-18-3
- Molecular Formula
- C4Cl2F6
- Molecular Mass
- 232.94 g/mol
Identifiers
CAS Registry Number
356-18-3
SMILES
FC1(F)C(F)(F)C(F)(Cl)C1(F)Cl
InChI Key
LMHAGAHDHRQIMB-UHFFFAOYSA-N
InChI
InChI=1S/C4Cl2F6/c5-1(7)2(6,8)4(11,12)3(1,9)10
Names and Synonyms
- 1,2-Dichlorohexafluorocyclobutane Systematic Name
- Cyclobutane, 1,2-dichloro-1,2,3,3,4,4-hexafluoro- Synonym
- Cyclobutane, 1,2-dichlorohexafluoro- Synonym
- 1,2-Dichloro-1,2,3,3,4,4-hexafluorocyclobutane Synonym
- 1,2-Dichloroperfluorocyclobutane Synonym
- 1,2-Dichlorohexafluorocyclobutane Synonym
- RC 316 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 | |
| Density | 1.64 g/cm³ | CAS Common Chemistry |
| 1.6441 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 59.87 °C | CAS Common Chemistry |
| Canonical SMILES | FC1(F)C(F)(F)C(F)(Cl)C1(F)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C4Cl2F6/c5-1(7)2(6,8)4(11,12)3(1,9)10 | CAS Common Chemistry |
| InChI Key | InChIKey=LMHAGAHDHRQIMB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 58.5 °C | CAS Common Chemistry |
| Name | 1,2-Dichlorohexafluorocyclobutane | 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 | 3.0798000000000005 | RDKit |
| 3.0798 | RDKit | |
| Molar Refractivity | 29.278 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | 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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Quick conversion
MW = 232.94 g/mol; density = 1.640 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4Cl2F6.
