NX7
Summary
| Name: | (2,6-difluorophenyl)(pyrrolidin-1-yl)methanone |
| Formula: | C11 H11 F2 N O |
| Formal charge: | 0 |
| Formula weight: | 211.208 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2,6-difluorophenyl)(pyrrolidin-1-yl)methanone |
| OpenEye OEToolkits | 2.0.6 | [2,6-bis(fluoranyl)phenyl]-pyrrolidin-1-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cccc(c1C(=O)N2CCCC2)F)F |
| InChI | InChI | 1.03 | InChI=1S/C11H11F2NO/c12-8-4-3-5-9(13)10(8)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2 |
| InChIKey | InChI | 1.03 | WKDBMZQECSVNDS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(F)c1C(=O)N2CCCC2 |
| SMILES | CACTVS | 3.385 | Fc1cccc(F)c1C(=O)N2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)F)C(=O)N2CCCC2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)F)C(=O)N2CCCC2)F |
