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Molecule
Fluoroethylene Carbonate
CAS: 114435-02-8 · C3H3FO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 114435-02-8
- Molecular Formula
- C3H3FO3
- Molecular Mass
- 106.05 g/mol
Identifiers
CAS Registry Number
114435-02-8
SMILES
O=C1OCC(F)O1
InChI Key
SBLRHMKNNHXPHG-UHFFFAOYSA-N
InChI
InChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H2
Names and Synonyms
- Fluoroethylene Carbonate Synonym
- 1,3-Dioxolan-2-one, 4-fluoro- Synonym
- 4-Fluoro-1,3-dioxolan-2-one Synonym
- Fluoroethylene carbonate Synonym
- 4-Fluoro-2-dioxolanone Synonym
- Monofluoroethylene carbonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 106.05 g/mol | CAS Common Chemistry |
| 106.05199999999999 g/mol | RDKit | |
| 106.052 g/mol | RDKit | |
| Canonical SMILES | O=C1OCC(F)O1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SBLRHMKNNHXPHG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Fluoroethylene carbonate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 0.4488 | RDKit |
| Molar Refractivity | 17.329 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 106.00662217600001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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 = 106.05 g/mol. Edit any field — others recompute live.
