Back to Search
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
Names and Synonyms:
Trifluoroiodomethane
Methane, trifluoroiodo-
Trifluoroiodomethane
Iodotrifluoromethane
Perfluoromethyl iodide
Trifluoromethyl iodide
Freon 13I1
Monoiodotrifluoromethane
R 13I1
Identifiers:
SMILES:
FC(F)(F)I
InChI:
InChI=1S/CF3I/c2-1(3,4)5
Key Properties
Boiling Point
-22.5 °C
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 | 195.91 g/mol | CAS Common Chemistry |
| 195.909 g/mol | RDKit | |
| 195.89968266 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 |
| Molar Refractivity | 20.075 | RDKit |
