I8G
Summary
| Name: | 2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one |
| Formula: | C12 H14 F N O2 |
| Formal charge: | 0 |
| Formula weight: | 223.243 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 2-(4-fluoranylphenoxy)-1-pyrrolidin-1-yl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(COc1ccc(F)cc1)N1CCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C12H14FNO2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2 |
| InChIKey | InChI | 1.03 | AJVMKMWCEVOBPX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(OCC(=O)N2CCCC2)cc1 |
| SMILES | CACTVS | 3.385 | Fc1ccc(OCC(=O)N2CCCC2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1OCC(=O)N2CCCC2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1OCC(=O)N2CCCC2)F |
