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Molecule
1,2-Diiodotetrafluoroethane
CAS: 354-65-4 · C2F4I2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 354-65-4
- Molecular Formula
- C2F4I2
- Molecular Mass
- 353.82 g/mol
Identifiers
CAS Registry Number
354-65-4
SMILES
FC(F)(I)C(F)(F)I
InChI Key
NZXVPCQHQVWOFD-UHFFFAOYSA-N
InChI
InChI=1S/C2F4I2/c3-1(4,7)2(5,6)8
Names and Synonyms
- 1,2-Diiodotetrafluoroethane Synonym
- Ethane, 1,1,2,2-tetrafluoro-1,2-diiodo- Synonym
- Ethane, tetrafluoro-1,2-diiodo- Synonym
- 1,1,2,2-Tetrafluoro-1,2-diiodoethane Synonym
- 1,2-Diiodotetrafluoroethane Synonym
- Tetrafluoro-1,2-diiodoethane Synonym
- 1,2-Diiodo-1,1,2,2-tetrafluoroethane Synonym
- 1,2-Diiodoperfluoroethane Synonym
- α,ω-Diiodoperfluoroethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 353.82 g/mol | CAS Common Chemistry |
| 353.822 g/mol | RDKit | |
| Density | 2.63 g/cm³ | CAS Common Chemistry |
| 2.6293 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 112 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(I)C(F)(F)I | CAS Common Chemistry |
| InChI | InChI=1S/C2F4I2/c3-1(4,7)2(5,6)8 | CAS Common Chemistry |
| InChI Key | InChIKey=NZXVPCQHQVWOFD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2-Diiodotetrafluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 3.042 | RDKit |
| Molar Refractivity | 37.934 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 353.80255888 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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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.
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MW = 353.82 g/mol; density = 2.630 g/mL. Edit any field — others recompute live.
