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Molecule
Carbonyl Fluoride
CAS: 353-50-4 · CF2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 353-50-4
- Molecular Formula
- CF2O
- Molecular Mass
- 66.01 g/mol
Identifiers
CAS Registry Number
353-50-4
SMILES
O=C(F)F
InChI Key
IYRWEQXVUNLMAY-UHFFFAOYSA-N
InChI
InChI=1S/CF2O/c2-1(3)4
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 66.01 g/mol | CAS Common Chemistry |
| 66.006 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 |
| 1.0454 | RDKit | |
| Molar Refractivity | 7.612 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 65.99172106 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 66.01 g/mol. Edit any field — others recompute live.
