S8G
Summary
| Name: | 1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one |
| Formula: | C9 H15 F3 N2 O |
| Formal charge: | 0 |
| Formula weight: | 224.223 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14/h7H,1-6,13H2/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | GPYQCFFYXYYNET-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1CCCN(C1)C(=O)CCC(F)(F)F |
| SMILES | CACTVS | 3.385 | N[CH]1CCCN(C1)C(=O)CCC(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1C[C@H](CN(C1)C(=O)CCC(F)(F)F)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CC(CN(C1)C(=O)CCC(F)(F)F)N |
