GFX
Summary
| Name: | methyl 4-fluoro-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate, radical |
| Formula: | C10 H16 F N O3 |
| Formal charge: | 0 |
| Formula weight: | 217.237 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 4-fluoro-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate |
| OpenEye OEToolkits | 2.0.7 | methyl 4-fluoranyl-2,2,5,5-tetramethyl-1-oxidanyl-pyrrole-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC1=C(C(=O)OC)C(C)(C)N(O)C1(C)C |
| InChI | InChI | 1.06 | InChI=1S/C10H16FNO3/c1-9(2)6(8(13)15-5)7(11)10(3,4)12(9)14/h14H,1-5H3 |
| InChIKey | InChI | 1.06 | XDMSBWBMQSTLAZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C1=C(F)C(C)(C)N(O)C1(C)C |
| SMILES | CACTVS | 3.385 | COC(=O)C1=C(F)C(C)(C)N(O)C1(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(C(=C(C(N1O)(C)C)F)C(=O)OC)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C(=C(C(N1O)(C)C)F)C(=O)OC)C |
