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2,2,2-Trifluoroethyl Acrylate
CAS: 407-47-6 | C5H5F3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
407-47-6
Molecular Formula:
C5H5F3O2
Molecular Mass:
154.09 g/mol
Names and Synonyms:
2,2,2-Trifluoroethyl Acrylate
2-Propenoic acid, 2,2,2-trifluoroethyl ester
Acrylic acid, 2,2,2-trifluoroethyl ester
Ethanol, 2,2,2-trifluoro-, acrylate
2,2,2-Trifluoroethyl acrylate
Viscoat 3F
NSC 32611
V 3F
A 1152
Trifluoroethyl acrylate
Trifluoromethylmethyl acrylate
R 1110
2,2,2-Trifluoroethyl prop-2-enoate
Viscoat V 3F
Identifiers:
SMILES:
C=CC(=O)OCC(F)(F)F
InChI:
InChI=1S/C5H5F3O2/c1-2-4(9)10-3-5(6,7)8/h2H,1,3H2
Key Properties
Boiling Point
46 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.09 g/mol | CAS Common Chemistry |
| 154.087 g/mol | RDKit | |
| 154.02416406 g/mol | RDKit | |
| Boiling Point | 46 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(F)(F)F)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C5H5F3O2/c1-2-4(9)10-3-5(6,7)8/h2H,1,3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VBHXIMACZBQHPX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2,2-Trifluoroethyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.2778999999999998 | RDKit |
| Molar Refractivity | 27.21099999999999 | RDKit |
