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Molecule
Pentafluoroethyl Iodide
CAS: 354-64-3 · C2F5I
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 354-64-3
- Molecular Formula
- C2F5I
- Molecular Mass
- 245.92 g/mol
Identifiers
CAS Registry Number
354-64-3
SMILES
FC(F)(F)C(F)(F)I
InChI Key
UXPOJVLZTPGWFX-UHFFFAOYSA-N
InChI
InChI=1S/C2F5I/c3-1(4,5)2(6,7)8
Names and Synonyms
- Pentafluoroethyl Iodide Synonym
- Ethane, 1,1,1,2,2-pentafluoro-2-iodo- Synonym
- Ethane, pentafluoroiodo- Synonym
- 1,1,1,2,2-Pentafluoro-2-iodoethane Synonym
- Pentafluoroiodoethane Synonym
- Perfluoroethyl iodide Synonym
- Pentafluoroethyl iodide Synonym
- Pentafluoro-1-iodoethane Synonym
- 1-Iodoperfluoroethane Synonym
- Iodopentafluoroethane Synonym
- Perfluoroiodoethane Synonym
- 1-Iodo-1,1,2,2,2-pentafluoroethane Synonym
- R 115I1 Synonym
- Iodoperfluoroethane Synonym
- 1,1,2,2,2-Pentafluoroethyl iodide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 245.92 g/mol | CAS Common Chemistry |
| 245.916 g/mol | RDKit | |
| Density | 2.09 g/cm³ | CAS Common Chemistry |
| 2.0850 g/cm3 @ 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 |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 245.8964891 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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40
20
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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MW = 245.92 g/mol; density = 2.090 g/mL. Edit any field — others recompute live.
