XZT
Summary
| Name: | 1-(2,4-difluorophenyl)pyrrolidine-2,5-dione |
| Formula: | C10 H7 F2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 211.165 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2,4-difluorophenyl)pyrrolidine-2,5-dione |
| OpenEye OEToolkits | 2.0.7 | 1-[2,4-bis(fluoranyl)phenyl]pyrrolidine-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cc(F)c(cc1)N1C(=O)CCC1=O |
| InChI | InChI | 1.06 | InChI=1S/C10H7F2NO2/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(13)15/h1-2,5H,3-4H2 |
| InChIKey | InChI | 1.06 | YZJWAYPUZVVMIA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(N2C(=O)CCC2=O)c(F)c1 |
| SMILES | CACTVS | 3.385 | Fc1ccc(N2C(=O)CCC2=O)c(F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)F)N2C(=O)CCC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)F)N2C(=O)CCC2=O |
