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3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-Methyl-2-Propenoate
CAS: 1799-84-4 | C10H9F9O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1799-84-4
Molecular Formula:
C10H9F9O2
Molecular Mass:
332.16 g/mol
Names and Synonyms:
3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-Methyl-2-Propenoate
2-Propenoic acid, 2-methyl-, 3,3,4,4,5,5,6,6,6-nonafluorohexyl ester
Methacrylic acid, 3,3,4,4,5,5,6,6,6-nonafluorohexyl ester
1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro-, methacrylate
3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-methyl-2-propenoate
3,3,4,4,5,5,6,6,6-Nonafluorohexyl methacrylate
M 1420
FAMAC 4
2-Perfluorobutylethyl methacrylate
Perfluorobutylethyl methacrylate
2-(Perfluorbutyl)ethyl methacrylate
1H,1H,2H,2H-Pefluorohexyl methacrylate
1H,1H,2H,2H-Nonafluorohexyl methacrylate
3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-methylprop-2-enoate
Identifiers:
SMILES:
C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI:
InChI=1S/C10H9F9O2/c1-5(2)6(20)21-4-3-7(11,12)8(13,14)9(15,16)10(17,18)19/h1,3-4H2,2H3
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 | 332.16 g/mol | CAS Common Chemistry |
| 332.1619999999999 g/mol | RDKit | |
| 332.04588350800003 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H9F9O2/c1-5(2)6(20)21-4-3-7(11,12)8(13,14)9(15,16)10(17,18)19/h1,3-4H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TYNRPOFACABVSI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-methyl-2-propenoate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 3.9640000000000013 | RDKit |
| Molar Refractivity | 51.28600000000001 | RDKit |
