TJ0
Summary
| Name: | 4-[2-(trifluoromethyl)benzoyl]piperazin-2-one |
| Formula: | C12 H11 F3 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 272.223 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[2-(trifluoromethyl)benzoyl]piperazin-2-one |
| OpenEye OEToolkits | 2.0.7 | 4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1CN(CCN1)C(=O)c1ccccc1C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C12H11F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)11(19)17-6-5-16-10(18)7-17/h1-4H,5-7H2,(H,16,18) |
| InChIKey | InChI | 1.06 | JQOVYBILMPXMLQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1ccccc1C(=O)N2CCNC(=O)C2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1ccccc1C(=O)N2CCNC(=O)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)N2CCNC(=O)C2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)N2CCNC(=O)C2)C(F)(F)F |
