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Molecule
1,1,2,2-Tetrafluoro-1-Iodoethane
CAS: 354-41-6 · C2HF4I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 354-41-6
- Molecular Formula
- C2HF4I
- Molecular Mass
- 227.93 g/mol
Identifiers
CAS Registry Number
354-41-6
SMILES
FC(F)C(F)(F)I
InChI Key
PIFDIGQPGUUCSG-UHFFFAOYSA-N
InChI
InChI=1S/C2HF4I/c3-1(4)2(5,6)7/h1H
Names and Synonyms
- 1,1,2,2-Tetrafluoro-1-Iodoethane Synonym
- Ethane, 1,1,2,2-tetrafluoro-1-iodo- Synonym
- 1,1,2,2-Tetrafluoro-1-iodoethane Synonym
- Iodo-1,1,2,2-tetrafluoroethane Synonym
- 1,1,2,2-Tetrafluoroiodoethane Synonym
- 1-Hydro-2-iodoperfluoroethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 227.93 g/mol | CAS Common Chemistry |
| 227.926 g/mol | RDKit | |
| Canonical SMILES | FC(F)C(F)(F)I | CAS Common Chemistry |
| InChI | InChI=1S/C2HF4I/c3-1(4)2(5,6)7/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=PIFDIGQPGUUCSG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,2,2-Tetrafluoro-1-iodoethane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.2793 | RDKit |
| Molar Refractivity | 24.971 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 227.905910912 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 227.93 g/mol. Edit any field — others recompute live.
