HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 3-[4-(trifluoromethyl)phenyl]prop-2-ynoate
Ethyl 3-[4-(trifluoromethyl)phenyl]-2-propynoate · (4-Trifluoromethyl-phenyl)-propynoic acid ethyl ester · 2-Propynoic acid, 3-[4-(trifluoromethyl)phenyl]-, ethyl ester
![Ethyl 3-[4-(trifluoromethyl)phenyl]prop-2-ynoate molecular structure](/img/chemical/11368488.png)
Identifiers & Physical Properties
| CAS No. | 337510-18-6 |
|---|---|
| Molecular formula | C12H9F3O2 |
| Average molar mass | 242.19 g/mol |
| Monoisotopic mass | 242.05546401 g/mol |
| SMILES | CCOC(=O)C#Cc1ccc(C(F)(F)F)cc1 |
| InChIKey | QJFRNHSILSPNNS-UHFFFAOYSA-N |
| PubChem CID | 11368488 |
| DTXSID | DTXSID60463778 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 327 |