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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
Carbonic difluoride
Carbonyl fluoride
Carbon oxyfluoride
Carbonyl difluoride
Fluorophosgene
Carbonyl fluoride (COF2)
Difluoroformaldehyde
Fluoroformyl fluoride
Carbon fluoride oxide (COF2)
Carbon oxyfluoride (COF2)
Carbon difluoride oxide
Carbonyl difluoride (COF2)
Difluorooxomethane
Difluorophosgene
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
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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 |
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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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.0453999999999999 | RDKit |
| 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 |
| cas-name | Carbonyl fluoride None | Legacy Database |
| wikipedia-name | Carbonyl fluoride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 7.612 | RDKit |
