3-(3-fluoro-4-methylanilino)-4-phenylcyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3-fluoro-4-methylanilino)-4-phenylcyclobut-3-ene-1,2-dione
3-(3-fluoro-4-methylanilino)-4-phenylcyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0422 |
| Compound Name: | 3-(3-fluoro-4-methylanilino)-4-phenylcyclobut-3-ene-1,2-dione |
| Molecular Weight: | 281.28 |
| Molecular Formula: | C17 H12 F N O2 |
| Smiles: | Cc1ccc(cc1F)NC1=C(C(C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7275 |
| logD: | 3.6995 |
| logSw: | -3.9816 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | LNMDXIOPUJSFAV-UHFFFAOYSA-N |