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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
Names and Synonyms:
Iodotrifluoroethylene
Ethene, 1,1,2-trifluoro-2-iodo-
Ethylene, trifluoroiodo-
Ethene, trifluoroiodo-
1,1,2-Trifluoro-2-iodoethene
Trifluorovinyl iodide
Iodotrifluoroethylene
Perfluorovinyl iodide
Trifluoroiodoethylene
1-Iodo-1,2,2-trifluoroethene
Iodotrifluoroethene
1,2,2-Trifluoro-1-iodoethene
Trifluoroiodoethene
NSC 174158
1-Iodo-1,2,2-trifluoroethylene
1,1,2-Trifluoro-2-iodoethylene
Identifiers:
SMILES:
FC(F)=C(F)I
InChI:
InChI=1S/C2F3I/c3-1(4)2(5)6
Key Properties
Boiling Point
30 °C
CAS Common Chemistry
Density
2.28 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.92 g/mol | CAS Common Chemistry |
| 207.92000000000002 g/mol | RDKit | |
| 207.89968266 g/mol | RDKit | |
| Density | 2.28 g/cm³ | CAS Common Chemistry |
| 2.284 g/cm3 @ Temp: 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 |
| Molar Refractivity | 24.37 | RDKit |
