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2,2,3,3,3-Pentafluoropropyl 2-Propenoate
CAS: 356-86-5 | C6H5F5O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
356-86-5
Molecular Formula:
C6H5F5O2
Molecular Mass:
204.09 g/mol
Names and Synonyms:
2,2,3,3,3-Pentafluoropropyl 2-Propenoate
2-Propenoic acid, 2,2,3,3,3-pentafluoropropyl ester
Acrylic acid, 2,2,3,3,3-pentafluoropropyl ester
1-Propanol, 2,2,3,3,3-pentafluoro-, acrylate
2,2,3,3,3-Pentafluoropropyl 2-propenoate
1,1-Dihydroperfluoropropyl acrylate
2,2,3,3,3-Pentafluoropropyl acrylate
1H,1H-Pentafluoropropyl acrylate
2,2,3,3,3-Pentafluoropropyl prop-2-enoate
Identifiers:
SMILES:
C=CC(=O)OCC(F)(F)C(F)(F)F
InChI:
InChI=1S/C6H5F5O2/c1-2-4(12)13-3-5(7,8)6(9,10)11/h2H,1,3H2
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 | 204.09 g/mol | CAS Common Chemistry |
| 204.09399999999997 g/mol | RDKit | |
| 204.0209705 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(F)(F)C(F)(F)F)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H5F5O2/c1-2-4(12)13-3-5(7,8)6(9,10)11/h2H,1,3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JDVGNKIUXZQTFD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2,3,3,3-Pentafluoropropyl 2-propenoate | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 1.9132 | RDKit |
| Molar Refractivity | 32.157999999999994 | RDKit |
