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Molecule
2,2,2-Trifluoroethyl Methacrylate
CAS: 352-87-4 · C6H7F3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 352-87-4
- Molecular Formula
- C6H7F3O2
- Molecular Mass
- 168.11 g/mol
Identifiers
CAS Registry Number
352-87-4
SMILES
C=C(C)C(=O)OCC(F)(F)F
InChI Key
QTKPMCIBUROOGY-UHFFFAOYSA-N
InChI
InChI=1S/C6H7F3O2/c1-4(2)5(10)11-3-6(7,8)9/h1,3H2,2H3
Names and Synonyms
- 2,2,2-Trifluoroethyl Methacrylate Synonym
- 2-Propenoic acid, 2-methyl-, 2,2,2-trifluoroethyl ester Synonym
- Methacrylic acid, 2,2,2-trifluoroethyl ester Synonym
- 2,2,2-Trifluoroethyl methacrylate Synonym
- Viscoat 3FM Synonym
- Light Ester M 3F Synonym
- M 1110 Synonym
- Acryester 3FE Synonym
- Fluorester Synonym
- NSC 32617 Synonym
- Actyflon G 03 Synonym
- Trifluoroethyl methacrylate Synonym
- M 3F Synonym
- Trifluoromethylmethyl methacrylate Synonym
- V 3FM Synonym
- 2,2,2-Trifluoroethyl 2-methylprop-2-enoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 168.11 g/mol | CAS Common Chemistry |
| 168.11399999999995 g/mol | RDKit | |
| 168.114 g/mol | RDKit | |
| Boiling Point | 59 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(F)(F)F)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H7F3O2/c1-4(2)5(10)11-3-6(7,8)9/h1,3H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QTKPMCIBUROOGY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2,2-Trifluoroethyl methacrylate | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 1.668 | RDKit |
| Molar Refractivity | 31.82799999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 168.039814124 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 168.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7F3O2.
