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Molecule
Methyl 2-Fluoroacrylate
CAS: 2343-89-7 · C4H5FO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2343-89-7
- Molecular Formula
- C4H5FO2
- Molecular Mass
- 104.08 g/mol
Identifiers
CAS Registry Number
2343-89-7
SMILES
C=C(F)C(=O)OC
InChI Key
ZTZJVAOTIOAZGZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H5FO2/c1-3(5)4(6)7-2/h1H2,2H3
Names and Synonyms
- Methyl 2-Fluoroacrylate Common Name
- 2-Propenoic acid, 2-fluoro-, methyl ester Synonym
- Acrylic acid, 2-fluoro-, methyl ester Synonym
- Methyl 2-fluoro-2-propenoate Synonym
- α-Fluoroacrylic acid methyl ester Synonym
- Methyl 2-fluoroacrylate Synonym
- Methyl α-fluoroacrylate Synonym
- 2-Fluoroacrylic acid methyl ester Synonym
- Methyl 2-fluoroprop-2-enoate Synonym
- H 61343 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.08 g/mol | CAS Common Chemistry |
| 104.07999999999998 g/mol | RDKit | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.1140 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyl_2-fluoroacrylate | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)C(F)=C | CAS Common Chemistry |
| InChI | InChI=1S/C4H5FO2/c1-3(5)4(6)7-2/h1H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZTZJVAOTIOAZGZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methyl 2-fluoro-2-propenoate | CAS Common Chemistry |
| Methyl 2-fluoroacrylate | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 0.6426 | RDKit |
| Molar Refractivity | 22.263999999999992 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 104.02735762 g/mol | RDKit |
| Boiling Point | 91 °C @ 750 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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Quick conversion
MW = 104.08 g/mol; density = 1.110 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H5FO2.
