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Heptafluoroisopropyl Acrylate
CAS: 13057-08-4 | C6H3F7O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13057-08-4
Molecular Formula:
C6H3F7O2
Molecular Mass:
240.07 g/mol
Names and Synonyms:
Heptafluoroisopropyl Acrylate
2-Propenoic acid, 1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl ester
Acrylic acid, 1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl ester
Acrylic acid, tetrafluoro-1-(trifluoromethyl)ethyl ester
2-Propanol, 1,1,1,2,3,3,3-heptafluoro-, acrylate
Heptafluoroisopropyl acrylate
1,1,1,2,3,3,3-Heptafluoropropan-2-yl prop-2-enoate
Identifiers:
SMILES:
C=CC(=O)OC(F)(C(F)(F)F)C(F)(F)F
InChI:
InChI=1S/C6H3F7O2/c1-2-3(14)15-4(7,5(8,9)10)6(11,12)13/h2H,1H2
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 | 240.07 g/mol | CAS Common Chemistry |
| 240.07399999999993 g/mol | RDKit | |
| 240.002126876 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(F)(C(F)(F)F)C(F)(F)F)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H3F7O2/c1-2-3(14)15-4(7,5(8,9)10)6(11,12)13/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JTCVKNUSIGHJRG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Heptafluoroisopropyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 2.5060000000000002 | RDKit |
| Molar Refractivity | 32.23799999999999 | RDKit |
