7-[(propan-2-yl)oxy]-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[(propan-2-yl)oxy]-4-(trifluoromethyl)-2H-1-benzopyran-2-one
7-[(propan-2-yl)oxy]-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 4270-0416 |
| Compound Name: | 7-[(propan-2-yl)oxy]-4-(trifluoromethyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 272.22 |
| Molecular Formula: | C13 H11 F3 O3 |
| Smiles: | CC(C)Oc1ccc2C(=CC(=O)Oc2c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.0036 |
| logD: | 3.0036 |
| logSw: | -3.4521 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.4483 |
| InChI Key: | SSJJQBHSEPLADN-UHFFFAOYSA-N |