A1ETM
Summary
| Name: | 1-piperidin-1-yl-4-[2,4,5-tris(fluoranyl)phenyl]butane-1,3-dione |
| Formula: | C15 H16 F3 N O2 |
| Formal charge: | 0 |
| Formula weight: | 299.288 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-piperidin-1-yl-4-[2,4,5-tris(fluoranyl)phenyl]butane-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H16F3NO2/c16-12-9-14(18)13(17)7-10(12)6-11(20)8-15(21)19-4-2-1-3-5-19/h7,9H,1-6,8H2 |
| InChIKey | InChI | 1.06 | HHOHABKLFAWOLZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(F)c(CC(=O)CC(=O)N2CCCCC2)cc1F |
| SMILES | CACTVS | 3.385 | Fc1cc(F)c(CC(=O)CC(=O)N2CCCCC2)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c(cc(c1F)F)F)CC(=O)CC(=O)N2CCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(cc(c1F)F)F)CC(=O)CC(=O)N2CCCCC2 |
