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Molecule
Chlorotrifluoroethylene
CAS: 79-38-9 · C2ClF3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 79-38-9
- Molecular Formula
- C2ClF3
- Molecular Mass
- 116.47 g/mol
Identifiers
CAS Registry Number
79-38-9
SMILES
FC(F)=C(F)Cl
InChI Key
UUAGAQFQZIEFAH-UHFFFAOYSA-N
InChI
InChI=1S/C2ClF3/c3-1(4)2(5)6
Names and Synonyms
- Chlorotrifluoroethylene Common Name
- Ethene, 1-chloro-1,2,2-trifluoro- Synonym
- Ethylene, chlorotrifluoro- Synonym
- Ethene, chlorotrifluoro- Synonym
- 1-Chloro-1,2,2-trifluoroethene Synonym
- Chlorotrifluoroethylene Synonym
- Genetron 1113 Synonym
- Monochlorotrifluoroethylene Synonym
- Trifluorochloroethylene Synonym
- Trifluoromonochloroethylene Synonym
- Trifluorovinyl chloride Synonym
- Trithene Synonym
- Chlorotrifluoroethene Synonym
- 1-Chloro-1,2,2-trifluoroethylene Synonym
- 2-Chloro-1,1,2-trifluoroethylene Synonym
- Trifluorochloroethene Synonym
- F 1113 Synonym
- R 1113 Synonym
- 2-Chloro-1,1,2-trifluoroethene Synonym
- CFC 1113 Synonym
- CFO 1113 Synonym
- HCFO 1113 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.47 g/mol | CAS Common Chemistry |
| 116.46900000000001 g/mol | RDKit | |
| 116.469 g/mol | RDKit | |
| 116.466 g/mol | chempirical lib | |
| Density | 1.30 g/cm³ | CAS Common Chemistry |
| 1.3 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlorotrifluoroethylene | CAS Common Chemistry |
| Boiling Point | -27.9 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)=C(F)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2ClF3/c3-1(4)2(5)6 | CAS Common Chemistry |
| InChI Key | InChIKey=UUAGAQFQZIEFAH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -158.2 °C | CAS Common Chemistry |
| Name | Chlorotrifluoroethylene | 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 | 2.2603 | RDKit |
| 2.1 | chempirical lib | |
| Molar Refractivity | 16.203000000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 115.96406234 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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0 ppm
| 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 = 116.47 g/mol; density = 1.300 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2ClF3.
