A1AXF
Summary
| Name: | 1-[5-chloro-4-(difluoromethyl)pyridin-2-yl]piperazine |
| Formula: | C10 H12 Cl F2 N3 |
| Formal charge: | 0 |
| Formula weight: | 247.672 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[5-chloro-4-(difluoromethyl)pyridin-2-yl]piperazine |
| OpenEye OEToolkits | 2.0.7 | 1-[4-[bis(fluoranyl)methyl]-5-chloranyl-pyridin-2-yl]piperazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)c1cc(ncc1Cl)N1CCNCC1 |
| InChI | InChI | 1.06 | InChI=1S/C10H12ClF2N3/c11-8-6-15-9(5-7(8)10(12)13)16-3-1-14-2-4-16/h5-6,10,14H,1-4H2 |
| InChIKey | InChI | 1.06 | YUJNUNUYEORSDZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)c1cc(ncc1Cl)N2CCNCC2 |
| SMILES | CACTVS | 3.385 | FC(F)c1cc(ncc1Cl)N2CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c(cnc1N2CCNCC2)Cl)C(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(cnc1N2CCNCC2)Cl)C(F)F |
