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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 Mass:
66.01 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
Key Properties
Boiling Point
-84.57 °C
CAS Common Chemistry
Melting Point
-111.26 °C
CAS Common Chemistry
Density
2.8959999999999997 x 10-3 g/cm3
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 | 66.01 g/mol | CAS Common Chemistry |
| 66.006 g/mol | RDKit | |
| 65.99172106 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Carbonyl_fluoride | CAS Common Chemistry |
| Boiling Point | -84.57 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(F)F | CAS Common Chemistry |
| Density | 2.8959999999999997 x 10-3 g/cm3 | CAS Common Chemistry |
| InChI | InChI=1S/CF2O/c2-1(3)4 | CAS Common Chemistry |
| InChI Key | InChIKey=IYRWEQXVUNLMAY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -111.26 °C | CAS Common Chemistry |
| Name | Carbonyl fluoride | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 1.0453999999999999 | RDKit |
| Molar Refractivity | 7.612 | RDKit |
