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Molecule
Hexafluoroisopropyl Acrylate
CAS: 2160-89-6 · C6H4F6O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2160-89-6
- Molecular Formula
- C6H4F6O2
- Molecular Mass
- 222.08 g/mol
Identifiers
CAS Registry Number
2160-89-6
SMILES
C=CC(=O)OC(C(F)(F)F)C(F)(F)F
InChI Key
MNSWITGNWZSAMC-UHFFFAOYSA-N
InChI
InChI=1S/C6H4F6O2/c1-2-3(13)14-4(5(7,8)9)6(10,11)12/h2,4H,1H2
Names and Synonyms
- Hexafluoroisopropyl Acrylate Synonym
- 2-Propenoic acid, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester Synonym
- Acrylic acid, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester Synonym
- Ethanol, 2,2,2-trifluoro-1-(trifluoromethyl)-, acrylate Synonym
- Hexafluoroisopropyl acrylate Synonym
- HFIPA Synonym
- 1-Trifluoromethyl-2,2,2-trifluoroethyl acrylate Synonym
- 1,1,1,3,3,3-Hexafluoroisopropyl acrylate Synonym
- Perfluoroisopropyl acrylate Synonym
- Diperfluoromethylmethyl acrylate Synonym
- R 7210 Synonym
- 1,1,1,3,3,3-Hexafluoropropan-2-yl prop-2-enoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.08 g/mol | CAS Common Chemistry |
| 222.08399999999995 g/mol | RDKit | |
| 222.084 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C(F)(F)F)C(F)(F)F)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H4F6O2/c1-2-3(13)14-4(5(7,8)9)6(10,11)12/h2,4H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MNSWITGNWZSAMC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hexafluoroisopropyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.2088 | RDKit |
| Molar Refractivity | 32.187 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 222.011548688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 222.08 g/mol. Edit any field — others recompute live.
