A1BMP
Summary
| Name: | 3-fluoro-N-[(4S)-oxepan-4-yl]pyridin-2-amine |
| Formula: | C11 H15 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 210.248 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-fluoro-N-[(4S)-oxepan-4-yl]pyridin-2-amine |
| OpenEye OEToolkits | 3.1.0.0 | 3-fluoranyl-~{N}-[(4~{S})-oxepan-4-yl]pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Fc1cccnc1NC1CCCOCC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H15FN2O/c12-10-4-1-6-13-11(10)14-9-3-2-7-15-8-5-9/h1,4,6,9H,2-3,5,7-8H2,(H,13,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | NXRZJDZFJRRYPW-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccnc1N[C@H]2CCCOCC2 |
| SMILES | CACTVS | 3.385 | Fc1cccnc1N[CH]2CCCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(nc1)N[C@H]2CCCOCC2)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(nc1)NC2CCCOCC2)F |
