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Pentafluoroethyl Iodide
CAS: 354-64-3 | C2F5I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
354-64-3
Molecular Formula:
C2F5I
Molecular Mass:
245.92 g/mol
Names and Synonyms:
Pentafluoroethyl Iodide
Ethane, 1,1,1,2,2-pentafluoro-2-iodo-
Ethane, pentafluoroiodo-
1,1,1,2,2-Pentafluoro-2-iodoethane
Pentafluoroiodoethane
Perfluoroethyl iodide
Pentafluoroethyl iodide
Pentafluoro-1-iodoethane
1-Iodoperfluoroethane
Iodopentafluoroethane
Perfluoroiodoethane
1-Iodo-1,1,2,2,2-pentafluoroethane
R 115I1
Iodoperfluoroethane
1,1,2,2,2-Pentafluoroethyl iodide
Identifiers:
SMILES:
FC(F)(F)C(F)(F)I
InChI:
InChI=1S/C2F5I/c3-1(4,5)2(6,7)8
Key Properties
Boiling Point
13 °C
CAS Common Chemistry
Density
2.09 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 | 245.92 g/mol | CAS Common Chemistry |
| 245.916 g/mol | RDKit | |
| 245.8964891 g/mol | RDKit | |
| Density | 2.09 g/cm³ | CAS Common Chemistry |
| 2.0850 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pentafluoroethyl_iodide | CAS Common Chemistry |
| Boiling Point | 13 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)I | CAS Common Chemistry |
| InChI | InChI=1S/C2F5I/c3-1(4,5)2(6,7)8 | CAS Common Chemistry |
| InChI Key | InChIKey=UXPOJVLZTPGWFX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,1,2,2-Pentafluoro-2-iodoethane | CAS Common Chemistry |
| Pentafluoroethyl iodide | CAS Common Chemistry | |
| Heavy Atom Count | 8 | 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 | 2.5765 | RDKit |
| Molar Refractivity | 25.022 | RDKit |
