N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]pyrrolidine-1-carboxamide
Chemical Structure Depiction of
N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]pyrrolidine-1-carboxamide
N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | C097-0134 |
| Compound Name: | N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]pyrrolidine-1-carboxamide |
| Molecular Weight: | 302.25 |
| Molecular Formula: | C13 H13 F3 N2 O3 |
| Smiles: | C1CCN(C1)C(NC1(C(F)(F)F)Oc2ccccc2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.91 |
| logD: | 2.665 |
| logSw: | -3.4614 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.165 |
| InChI Key: | PMSVKFWEFOGZDO-UHFFFAOYSA-N |