S7A
Summary
| Name: | 3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one |
| Formula: | C7 H11 F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 196.17 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H11F3N2O/c8-7(9,10)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2 |
| InChIKey | InChI | 1.03 | RUISULBDMIMYAZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)CC(=O)N1CCNCC1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)CC(=O)N1CCNCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CN(CCN1)C(=O)CC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CN(CCN1)C(=O)CC(F)(F)F |
