5-[(3,4-difluoroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
5-[(3,4-difluoroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
5-[(3,4-difluoroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Compound characteristics
| Compound ID: | K699-0036 |
| Compound Name: | 5-[(3,4-difluoroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
| Molecular Weight: | 283.23 |
| Molecular Formula: | C13 H11 F2 N O4 |
| Smiles: | CC1(C)OC(C(=CNc2ccc(c(c2)F)F)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1951 |
| logD: | -0.3861 |
| logSw: | -2.6964 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.045 |
| InChI Key: | YTDLIMYUZMIKNY-UHFFFAOYSA-N |