A1AJ8
Summary
| Name: | (3-fluorophenyl)(piperazin-1-yl)methanone |
| Formula: | C11 H13 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 208.232 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3-fluorophenyl)(piperazin-1-yl)methanone |
| OpenEye OEToolkits | 2.0.7 | (3-fluorophenyl)-piperazin-1-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1cccc(F)c1)N1CCNCC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H13FN2O/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2 |
| InChIKey | InChI | 1.06 | KXFXHXPKGLLUGX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(c1)C(=O)N2CCNCC2 |
| SMILES | CACTVS | 3.385 | Fc1cccc(c1)C(=O)N2CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)C(=O)N2CCNCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)C(=O)N2CCNCC2 |
