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Molecule
2,2,3,3,3-Pentafluoropropyl Methacrylate
CAS: 45115-53-5 · C7H7F5O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 45115-53-5
- Molecular Formula
- C7H7F5O2
- Molecular Mass
- 218.12 g/mol
Identifiers
CAS Registry Number
45115-53-5
SMILES
C=C(C)C(=O)OCC(F)(F)C(F)(F)F
InChI Key
CLISWDZSTWQFNX-UHFFFAOYSA-N
InChI
InChI=1S/C7H7F5O2/c1-4(2)5(13)14-3-6(8,9)7(10,11)12/h1,3H2,2H3
Names and Synonyms
- 2,2,3,3,3-Pentafluoropropyl Methacrylate Systematic Name
- 2-Propenoic acid, 2-methyl-, 2,2,3,3,3-pentafluoropropyl ester Synonym
- 1,1-Dihydroperfluoropropyl methacrylate Synonym
- 2,2,3,3,3-Pentafluoropropyl methacrylate Synonym
- M 1210 (fluoro monomer) Synonym
- M 1210 Synonym
- 1H,1H-Pentafluoropropyl methacrylate Synonym
- Perfluoroethylmethyl methacrylate Synonym
- 2,2,3,3,3-Pentafuoropropyl methacrylate Synonym
- 2,2,3,3,3-Pentafluoropropyl 2-methylprop-2-enoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 218.12 g/mol | CAS Common Chemistry |
| 218.12099999999992 g/mol | RDKit | |
| 218.121 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(F)(F)C(F)(F)F)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H7F5O2/c1-4(2)5(13)14-3-6(8,9)7(10,11)12/h1,3H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CLISWDZSTWQFNX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2,3,3,3-Pentafluoropropyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.3033 | RDKit |
| Molar Refractivity | 36.775000000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 218.036620564 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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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MW = 218.12 g/mol. Edit any field — others recompute live.
