A1AM9
Summary
| Name: | (3R)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one |
| Formula: | C11 H12 F N O2 |
| Formal charge: | 0 |
| Formula weight: | 209.217 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-(3-fluoranylphenoxy)-1-methyl-pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN1CCC(Oc2cc(F)ccc2)C1=O |
| InChI | InChI | 1.06 | InChI=1S/C11H12FNO2/c1-13-6-5-10(11(13)14)15-9-4-2-3-8(12)7-9/h2-4,7,10H,5-6H2,1H3/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | JWLJWMCLUCDWSD-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CC[C@@H](Oc2cccc(F)c2)C1=O |
| SMILES | CACTVS | 3.385 | CN1CC[CH](Oc2cccc(F)c2)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CC[C@H](C1=O)Oc2cccc(c2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCC(C1=O)Oc2cccc(c2)F |
