2-(adamantan-1-yl)-4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione
Chemical Structure Depiction of
2-(adamantan-1-yl)-4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione
2-(adamantan-1-yl)-4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione
Compound characteristics
| Compound ID: | 6623-0492 |
| Compound Name: | 2-(adamantan-1-yl)-4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione |
| Molecular Weight: | 356.41 |
| Molecular Formula: | C18 H19 F3 O2 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(C(c1cccs1)=O)C(C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9103 |
| logD: | 4.9092 |
| logSw: | -4.9568 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.4958 |
| InChI Key: | ZIARIILRRWXIKG-HSVOFOGUSA-N |