7-(3,3-dimethyl-2-oxobutoxy)-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutoxy)-4-(trifluoromethyl)-2H-1-benzopyran-2-one
7-(3,3-dimethyl-2-oxobutoxy)-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0045 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutoxy)-4-(trifluoromethyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 328.29 |
| Molecular Formula: | C16 H15 F3 O4 |
| Smiles: | CC(C)(C)C(COc1ccc2C(=CC(=O)Oc2c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3091 |
| logD: | 3.3091 |
| logSw: | -3.7229 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.392 |
| InChI Key: | MZMBFJGEMDZMJY-UHFFFAOYSA-N |