WLG
概要
表記: | 1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one |
組成式: | C10 H15 F2 N O2 |
電荷: | 0 |
化学式量: | 219.228 Da |
分子種別: | non-polymer |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 12.01 | 1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one |
OpenEye OEToolkits | 2.0.7 | 1-(5-azaspiro[2.5]octan-5-yl)-2-[bis(fluoranyl)methoxy]ethanone |
化合物記述子(線形表記)
種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C2CN(CC1(CC1)C2)C(COC(F)F)=O |
InChI | InChI | 1.03 | InChI=1S/C10H15F2NO2/c11-9(12)15-6-8(14)13-5-1-2-10(7-13)3-4-10/h9H,1-7H2 |
InChIKey | InChI | 1.03 | QAUGUVLOVUPMNO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)OCC(=O)N1CCCC2(CC2)C1 |
SMILES | CACTVS | 3.385 | FC(F)OCC(=O)N1CCCC2(CC2)C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CC2(CC2)CN(C1)C(=O)COC(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | C1CC2(CC2)CN(C1)C(=O)COC(F)F |