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2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl Acrylate
CAS: 2993-85-3 | C10H6F12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2993-85-3
Molecular Formula:
C10H6F12O2
Molecular Mass:
386.13 g/mol
Names and Synonyms:
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl Acrylate
2-Propenoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
Acrylic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
1-Heptanol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-, acrylate
1H,1H,7H-Dodecafluoro-1-heptyl acrylate
1,1,7-Trihydrododecafluoroheptyl acrylate
1,1,7-Trihydroperfluoroheptyl acrylate
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl acrylate
R 5610
1H,1H,7H-Perfluoroheptyl acrylate
1H,1H,7H-Dodecafluoroheptyl acrylate
2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl prop-2-enoate
Identifiers:
SMILES:
C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChI:
InChI=1S/C10H6F12O2/c1-2-4(23)24-3-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h2,5H,1,3H2
Key Properties
Boiling Point
56-58 °C @ Press: 6 Torr
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 | 386.13 g/mol | CAS Common Chemistry |
| 386.13199999999995 g/mol | RDKit | |
| 386.017618072 g/mol | RDKit | |
| Boiling Point | 56-58 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C10H6F12O2/c1-2-4(23)24-3-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h2,5H,1,3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QJEJDNMGOWJONG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 4.1572000000000005 | RDKit |
| Molar Refractivity | 51.895 | RDKit |
