RGO
Summary
| Name: | (3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one |
| Formula: | C11 H9 F2 N O |
| Formal charge: | 0 |
| Formula weight: | 209.192 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H9F2NO/c12-11(13)6-8-5-7-3-1-2-4-9(7)14(8)10(11)15/h1-4,8H,5-6H2/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | FBNLACZWDFCRLD-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC1(F)C[C@@H]2Cc3ccccc3N2C1=O |
| SMILES | CACTVS | 3.385 | FC1(F)C[CH]2Cc3ccccc3N2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)C[C@@H]3N2C(=O)C(C3)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)CC3N2C(=O)C(C3)(F)F |
