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Hexafluoroisopropyl Acrylate
CAS: 2160-89-6 | C6H4F6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2160-89-6
Molecular Formula:
C6H4F6O2
Molecular Mass:
222.08 g/mol
Names and Synonyms:
Hexafluoroisopropyl Acrylate
2-Propenoic acid, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester
Acrylic acid, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester
Ethanol, 2,2,2-trifluoro-1-(trifluoromethyl)-, acrylate
Hexafluoroisopropyl acrylate
HFIPA
1-Trifluoromethyl-2,2,2-trifluoroethyl acrylate
1,1,1,3,3,3-Hexafluoroisopropyl acrylate
Perfluoroisopropyl acrylate
Diperfluoromethylmethyl acrylate
R 7210
1,1,1,3,3,3-Hexafluoropropan-2-yl prop-2-enoate
Identifiers:
SMILES:
C=CC(=O)OC(C(F)(F)F)C(F)(F)F
InChI:
InChI=1S/C6H4F6O2/c1-2-3(13)14-4(5(7,8)9)6(10,11)12/h2,4H,1H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 222.08 g/mol | CAS Common Chemistry |
| 222.08399999999995 g/mol | RDKit | |
| 222.011548688 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C(F)(F)F)C(F)(F)F)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H4F6O2/c1-2-3(13)14-4(5(7,8)9)6(10,11)12/h2,4H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MNSWITGNWZSAMC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hexafluoroisopropyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 2.2088 | RDKit |
| Molar Refractivity | 32.187 | RDKit |
