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Molecule
2,2,3,3,3-Pentafluoropropyl 2-Propenoate
CAS: 356-86-5 · C6H5F5O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 356-86-5
- Molecular Formula
- C6H5F5O2
- Molecular Mass
- 204.09 g/mol
Identifiers
CAS Registry Number
356-86-5
SMILES
C=CC(=O)OCC(F)(F)C(F)(F)F
InChI Key
JDVGNKIUXZQTFD-UHFFFAOYSA-N
InChI
InChI=1S/C6H5F5O2/c1-2-4(12)13-3-5(7,8)6(9,10)11/h2H,1,3H2
Names and Synonyms
- 2,2,3,3,3-Pentafluoropropyl 2-Propenoate Systematic Name
- 2-Propenoic acid, 2,2,3,3,3-pentafluoropropyl ester Synonym
- Acrylic acid, 2,2,3,3,3-pentafluoropropyl ester Synonym
- 1-Propanol, 2,2,3,3,3-pentafluoro-, acrylate Synonym
- 2,2,3,3,3-Pentafluoropropyl 2-propenoate Synonym
- 1,1-Dihydroperfluoropropyl acrylate Synonym
- 2,2,3,3,3-Pentafluoropropyl acrylate Synonym
- 1H,1H-Pentafluoropropyl acrylate Synonym
- 2,2,3,3,3-Pentafluoropropyl prop-2-enoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.09 g/mol | CAS Common Chemistry |
| 204.09399999999997 g/mol | RDKit | |
| 204.094 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(F)(F)C(F)(F)F)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H5F5O2/c1-2-4(12)13-3-5(7,8)6(9,10)11/h2H,1,3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JDVGNKIUXZQTFD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2,3,3,3-Pentafluoropropyl 2-propenoate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.9132 | RDKit |
| Molar Refractivity | 32.157999999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 204.0209705 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 204.09 g/mol. Edit any field — others recompute live.
