4IS
Summary
| Name: | 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole |
| Formula: | C10 H9 F2 N |
| Formal charge: | 0 |
| Formula weight: | 181.182 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H9F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6H,1-2,5H2 |
| InChIKey | InChI | 1.06 | QIZHVCUPPAMGIW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(F)c(c1)C2=NCCC2 |
| SMILES | CACTVS | 3.385 | Fc1ccc(F)c(c1)C2=NCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)C2=NCCC2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)C2=NCCC2)F |
