3-(4-fluorophenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Chemical Structure Depiction of
3-(4-fluorophenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
3-(4-fluorophenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Compound characteristics
| Compound ID: | 8012-4961 |
| Compound Name: | 3-(4-fluorophenyl)-5-imino-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile |
| Molecular Weight: | 324.31 |
| Molecular Formula: | C17 H13 F N4 O2 |
| Smiles: | CC1C(C#N)(C#N)C2(C#N)C(c3ccc(cc3)F)OC1(C)OC2=N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.353 |
| logD: | 2.3514 |
| logSw: | -2.709 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.245 |
| InChI Key: | NLOLBHQOIWEONU-UHFFFAOYSA-N |