ethyl 2-cyano-3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propanoate
Chemical Structure Depiction of
ethyl 2-cyano-3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propanoate
ethyl 2-cyano-3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propanoate
Compound characteristics
| Compound ID: | 3456-0162 |
| Compound Name: | ethyl 2-cyano-3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propanoate |
| Molecular Weight: | 333.4 |
| Molecular Formula: | C19 H24 F N O3 |
| Smiles: | CCOC(C(C#N)C(C1CCOC(C)(C)C1)c1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5135 |
| logD: | 3.5135 |
| logSw: | -3.5546 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.168 |
| InChI Key: | RXKQWQWAWGCAQF-UHFFFAOYSA-N |