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Carbonyl Fluoride
CAS: 353-50-4 | CF2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
353-50-4
Molecular Formula:
CF2O
Molecular Weight:
66.006 g/mol
Names and Synonyms:
Carbonyl Fluoride
Synonym
Carbonic difluoride
Synonym
Carbonyl fluoride
Synonym
Carbon oxyfluoride
Synonym
Carbonyl difluoride
Synonym
Fluorophosgene
Synonym
Carbonyl fluoride (COF2)
Synonym
Difluoroformaldehyde
Synonym
Fluoroformyl fluoride
Synonym
Carbon fluoride oxide (COF2)
Synonym
Carbon oxyfluoride (COF2)
Synonym
Carbon difluoride oxide
Synonym
Carbonyl difluoride (COF2)
Synonym
Difluorooxomethane
Synonym
Difluorophosgene
Synonym
Identifiers:
SMILES:
O=C(F)F
InChI:
InChI=1S/CF2O/c2-1(3)4
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 | 66.01 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Carbonyl_fluoride None | Legacy Database |
| cas-boiling-point | -84.57 °C None | Legacy Database |
| cas-canonical-smile | O=C(F)F None | Legacy Database |
| cas-density | 2.8959999999999997 x 10-3 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/CF2O/c2-1(3)4 None | Legacy Database |
| cas-inchi-key | InChIKey=IYRWEQXVUNLMAY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -111.26 °C None | Legacy Database |
| LogP | 1.0453999999999999 | RDKit |
| cas-name | Carbonyl fluoride None | Legacy Database |
| wikipedia-name | Carbonyl fluoride None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 66.006 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 65.99172106 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 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 | 17.07 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 7.612 | RDKit |