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Molecule
Trifluoroiodomethane
CAS: 2314-97-8 · CF3I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2314-97-8
- Molecular Formula
- CF3I
- Molecular Mass
- 195.91 g/mol
Identifiers
CAS Registry Number
2314-97-8
SMILES
FC(F)(F)I
InChI Key
VPAYJEUHKVESSD-UHFFFAOYSA-N
InChI
InChI=1S/CF3I/c2-1(3,4)5
Names and Synonyms
- Trifluoroiodomethane Common Name
- Methane, trifluoroiodo- Synonym
- Trifluoroiodomethane Synonym
- Iodotrifluoromethane Synonym
- Perfluoromethyl iodide Synonym
- Trifluoromethyl iodide Synonym
- Freon 13I1 Synonym
- Monoiodotrifluoromethane Synonym
- R 13I1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.91 g/mol | CAS Common Chemistry |
| 195.909 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trifluoroiodomethane | CAS Common Chemistry |
| Boiling Point | -22.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)I | CAS Common Chemistry |
| InChI | InChI=1S/CF3I/c2-1(3,4)5 | CAS Common Chemistry |
| InChI Key | InChIKey=VPAYJEUHKVESSD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trifluoroiodomethane | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 1.9411999999999998 | RDKit |
| 1.9412 | RDKit | |
| Molar Refractivity | 20.075 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 195.89968266 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 = 195.91 g/mol. Edit any field — others recompute live.
