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Molecule
2-(Perfluorodecyl)Ethyl Acrylate
CAS: 17741-60-5 · C15H7F21O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17741-60-5
- Molecular Formula
- C15H7F21O2
- Molecular Mass
- 618.18 g/mol
Identifiers
CAS Registry Number
17741-60-5
SMILES
C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
FIAHOPQKBBASOY-UHFFFAOYSA-N
InChI
InChI=1S/C15H7F21O2/c1-2-5(37)38-4-3-6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h2H,1,3-4H2
Names and Synonyms
- 2-(Perfluorodecyl)Ethyl Acrylate Synonym
- 2-Propenoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododecyl ester Synonym
- Acrylic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododecyl ester Synonym
- 2-(Perfluorodecyl)ethyl acrylate Synonym
- 1,1,2,2-Tetrahydroperfluorododecyl acrylate Synonym
- Perfluorodecylethyl acrylate Synonym
- 1H,1H,2H,2H-Perfluorododecyl acrylate Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluorododecyl acrylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 618.18 g/mol | CAS Common Chemistry |
| 618.1770000000001 g/mol | RDKit | |
| 618.177 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C15H7F21O2/c1-2-5(37)38-4-3-6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h2H,1,3-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FIAHOPQKBBASOY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(Perfluorodecyl)ethyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 38 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 7.385700000000004 | RDKit |
| 7.3857 | RDKit | |
| Molar Refractivity | 76.351 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 618.011072084 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 618.18 g/mol. Edit any field — others recompute live.
