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Molecule
Iodotrifluoroethylene
CAS: 359-37-5 · C2F3I
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 359-37-5
- Molecular Formula
- C2F3I
- Molecular Mass
- 207.92 g/mol
Identifiers
CAS Registry Number
359-37-5
SMILES
FC(F)=C(F)I
InChI Key
PZVZTKFRZJMHEM-UHFFFAOYSA-N
InChI
InChI=1S/C2F3I/c3-1(4)2(5)6
Names and Synonyms
- Iodotrifluoroethylene Common Name
- Ethene, 1,1,2-trifluoro-2-iodo- Synonym
- Ethylene, trifluoroiodo- Synonym
- Ethene, trifluoroiodo- Synonym
- 1,1,2-Trifluoro-2-iodoethene Synonym
- Trifluorovinyl iodide Synonym
- Iodotrifluoroethylene Synonym
- Perfluorovinyl iodide Synonym
- Trifluoroiodoethylene Synonym
- 1-Iodo-1,2,2-trifluoroethene Synonym
- Iodotrifluoroethene Synonym
- 1,2,2-Trifluoro-1-iodoethene Synonym
- Trifluoroiodoethene Synonym
- NSC 174158 Synonym
- 1-Iodo-1,2,2-trifluoroethylene Synonym
- 1,1,2-Trifluoro-2-iodoethylene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.92 g/mol | CAS Common Chemistry |
| 207.92000000000002 g/mol | RDKit | |
| Density | 2.28 g/cm³ | CAS Common Chemistry |
| 2.284 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iodotrifluoroethylene | CAS Common Chemistry |
| Boiling Point | 30 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)=C(F)I | CAS Common Chemistry |
| InChI | InChI=1S/C2F3I/c3-1(4)2(5)6 | CAS Common Chemistry |
| InChI Key | InChIKey=PZVZTKFRZJMHEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Iodotrifluoroethylene | 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 | 2.4565 | RDKit |
| 2.46 | chempirical lib | |
| Molar Refractivity | 24.37 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 207.89968266 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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20
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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 = 207.92 g/mol; density = 2.280 g/mL. Edit any field — others recompute live.
