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Methyl 2-Fluoroacrylate
CAS: 2343-89-7 | C4H5FO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2343-89-7
Molecular Formula:
C4H5FO2
Molecular Weight:
104.07999999999998 g/mol
Names and Synonyms:
Methyl 2-Fluoroacrylate
H 61343
Methyl 2-fluoroprop-2-enoate
2-Fluoroacrylic acid methyl ester
Methyl α-fluoroacrylate
Methyl 2-fluoroacrylate
α-Fluoroacrylic acid methyl ester
Methyl 2-fluoro-2-propenoate
Acrylic acid, 2-fluoro-, methyl ester
2-Propenoic acid, 2-fluoro-, methyl ester
Identifiers:
SMILES:
C=C(F)C(=O)OC
InChI:
InChI=1S/C4H5FO2/c1-3(5)4(6)7-2/h1H2,2H3
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 | 104.08 g/mol | Legacy Database |
| density | 1.11 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Methyl_2-fluoroacrylate None | Legacy Database |
| cas-boiling-point | 91 °C @ Press: 750 Torr None | Legacy Database |
| cas-canonical-smile | O=C(OC)C(F)=C None | Legacy Database |
| cas-density | 1.1140 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H5FO2/c1-3(5)4(6)7-2/h1H2,2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=ZTZJVAOTIOAZGZ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Methyl 2-fluoro-2-propenoate None | Legacy Database |
| wikipedia-name | Methyl 2-fluoroacrylate None | Legacy Database |
| LogP | 0.6426 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 104.07999999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 104.02735762 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 22.263999999999992 | RDKit |
