9H8
Summary
| Name: | 1,1,1-tris(fluoranyl)-~{N}-[[(2~{S})-pyrrolidin-2-yl]methyl]methanesulfonamide |
| Formula: | C6 H11 F3 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 232.224 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1,1,1-tris(fluoranyl)-~{N}-[[(2~{S})-pyrrolidin-2-yl]methyl]methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-4-5-2-1-3-10-5/h5,10-11H,1-4H2/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | RIWFUAUXWIEOTK-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)[S](=O)(=O)NC[C@@H]1CCCN1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)[S](=O)(=O)NC[CH]1CCCN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1C[C@H](NC1)CNS(=O)(=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CC(NC1)CNS(=O)(=O)C(F)(F)F |
