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Chromyl Fluoride
CAS: 7788-96-7 | CrF2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7788-96-7
Molecular Formula:
CrF2O2
Molecular Weight:
121.99 g/mol
Names and Synonyms:
Chromyl Fluoride
Chromium fluoride oxide (CrF2O2)
Chromium oxide fluoride (CrO2F2)
Chromium dioxide difluoride
Chromoxyfluoride
Chromium oxyfluoride
Difluorodioxochromium
Chromium difluoride dioxide
Chromium oxyfluoride (CrO2F2)
Chromium fluoride oxide (CrO2F2)
Chromyl fluoride (CrO2F2)
(T-4)-Difluorodioxochromium
Chromyl fluoride
Chromium, difluorodioxo-
Chromium, difluorodioxo-, (T-4)-
Identifiers:
SMILES:
[Cr+2].[F-].[F-].[O].[O]
InChI:
InChI=1S/Cr.2FH.2O/h;2*1H;;/q+2;;;;/p-2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 121.99 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chromyl_fluoride None | Legacy Database |
| cas-canonical-smile | O=[Cr](=O)(F)F None | Legacy Database |
| cas-inchi | InChI=1S/Cr.2FH.2O/h;2*1H;;/q+2;;;;/p-2 None | Legacy Database |
| cas-inchi-key | InChIKey=FRLBLFFATGQISB-UHFFFAOYSA-L None | Legacy Database |
| cas-melting-point | 31.6 °C None | Legacy Database |
| cas-name | (T-4)-Difluorodioxochromium None | Legacy Database |
| wikipedia-name | Chromyl fluoride None | Legacy Database |
| LogP | -6.232100000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 121.99 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 121.92714318000002 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 57.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 1.373 | RDKit |
