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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
Names and Synonyms:
2,2,3,3,3-Pentafluoropropyl Methacrylate
2-Propenoic acid, 2-methyl-, 2,2,3,3,3-pentafluoropropyl ester
1,1-Dihydroperfluoropropyl methacrylate
2,2,3,3,3-Pentafluoropropyl methacrylate
M 1210 (fluoro monomer)
M 1210
1H,1H-Pentafluoropropyl methacrylate
Perfluoroethylmethyl methacrylate
2,2,3,3,3-Pentafuoropropyl methacrylate
2,2,3,3,3-Pentafluoropropyl 2-methylprop-2-enoate
Identifiers:
SMILES:
C=C(C)C(=O)OCC(F)(F)C(F)(F)F
InChI:
InChI=1S/C7H7F5O2/c1-4(2)5(13)14-3-6(8,9)7(10,11)12/h1,3H2,2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 218.12 g/mol | CAS Common Chemistry |
| 218.12099999999992 g/mol | RDKit | |
| 218.036620564 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 | RDKit |
