2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
Chemical Structure Depiction of
2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one
Compound characteristics
| Compound ID: | 8012-0466 |
| Compound Name: | 2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-1,5,6,7-tetrahydro-4H-indol-4-one |
| Molecular Weight: | 308.63 |
| Molecular Formula: | C13 H16 Cl3 N O |
| Smiles: | Cc1c(CC([Cl])([Cl])[Cl])c2C(CC(C)(C)Cc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9073 |
| logD: | 3.9073 |
| logSw: | -4.5981 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.1187 |
| InChI Key: | HAKBGRFKHOIBTR-UHFFFAOYSA-N |