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Molecule
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
Identifiers
CAS Registry Number
1799-84-4
SMILES
C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
TYNRPOFACABVSI-UHFFFAOYSA-N
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
Names and Synonyms
- 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-Methyl-2-Propenoate Synonym
- 2-Propenoic acid, 2-methyl-, 3,3,4,4,5,5,6,6,6-nonafluorohexyl ester Synonym
- Methacrylic acid, 3,3,4,4,5,5,6,6,6-nonafluorohexyl ester Synonym
- 1-Hexanol, 3,3,4,4,5,5,6,6,6-nonafluoro-, methacrylate Synonym
- 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-methyl-2-propenoate Synonym
- 3,3,4,4,5,5,6,6,6-Nonafluorohexyl methacrylate Synonym
- M 1420 Synonym
- FAMAC 4 Synonym
- 2-Perfluorobutylethyl methacrylate Synonym
- Perfluorobutylethyl methacrylate Synonym
- 2-(Perfluorbutyl)ethyl methacrylate Synonym
- 1H,1H,2H,2H-Pefluorohexyl methacrylate Synonym
- 1H,1H,2H,2H-Nonafluorohexyl methacrylate Synonym
- 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-methylprop-2-enoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 332.16 g/mol | CAS Common Chemistry |
| 332.1619999999999 g/mol | RDKit | |
| 332.162 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 |
| 3.964 | RDKit | |
| Molar Refractivity | 51.28600000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 332.04588350800003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 332.16 g/mol. Edit any field — others recompute live.
