2-(adamantan-1-yl)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione
Chemical Structure Depiction of
2-(adamantan-1-yl)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione
2-(adamantan-1-yl)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione
Compound characteristics
| Compound ID: | 6623-0491 |
| Compound Name: | 2-(adamantan-1-yl)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C22 H25 F3 O4 |
| Smiles: | COc1ccc(cc1OC)C(C(C(C(F)(F)F)=O)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6718 |
| logD: | 4.6717 |
| logSw: | -4.5794 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.738 |
| InChI Key: | KQHPQHSKJKPGGW-IWGLNFRWSA-N |