A1C9X
Summary
| Name: | 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethan-1-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 | 14.52 | 1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-[(2~{R})-8-fluoranyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(=O)N1CC(C)Oc2c(F)cccc21 |
| InChI | InChI | 1.06 | InChI=1S/C11H12FNO2/c1-7-6-13(8(2)14)10-5-3-4-9(12)11(10)15-7/h3-5,7H,6H2,1-2H3/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | QFYVKVSXHXQAQZ-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CN(C(C)=O)c2cccc(F)c2O1 |
| SMILES | CACTVS | 3.385 | C[CH]1CN(C(C)=O)c2cccc(F)c2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H]1CN(c2cccc(c2O1)F)C(=O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1CN(c2cccc(c2O1)F)C(=O)C |
