5-[(2-fluoro-5-nitroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
5-[(2-fluoro-5-nitroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
5-[(2-fluoro-5-nitroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Compound characteristics
| Compound ID: | K699-0040 |
| Compound Name: | 5-[(2-fluoro-5-nitroanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione |
| Molecular Weight: | 310.24 |
| Molecular Formula: | C13 H11 F N2 O6 |
| Smiles: | CC1(C)OC(C(=CNc2cc(ccc2F)[N+]([O-])=O)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0383 |
| logD: | -1.3723 |
| logSw: | -2.7244 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.729 |
| InChI Key: | IQRLGSWJMWUEOH-UHFFFAOYSA-N |