WGM
Summary
| Name: | (3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol |
| Formula: | C11 H15 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 210.248 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-1-(3-fluoranylpyridin-2-yl)-4,4-dimethyl-pyrrolidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cccc(c1N2CC(O)C(C)(C2)C)F |
| InChI | InChI | 1.03 | InChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | UEGVWHVSUHDHHI-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CN(C[C@@H]1O)c2ncccc2F |
| SMILES | CACTVS | 3.385 | CC1(C)CN(C[CH]1O)c2ncccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CN(C[C@@H]1O)c2c(cccn2)F)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CN(CC1O)c2c(cccn2)F)C |
