4IS
概要
表記: | 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole |
組成式: | C10 H9 F2 N |
電荷: | 0 |
化学式量: | 181.182 Da |
分子種別: | non-polymer |
化合物名
プログラム | バージョン | 表記 |
OpenEye OEToolkits | 2.0.7 | 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole |
化合物記述子(線形表記)
種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C10H9F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6H,1-2,5H2 |
InChIKey | InChI | 1.06 | QIZHVCUPPAMGIW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(F)c(c1)C2=NCCC2 |
SMILES | CACTVS | 3.385 | Fc1ccc(F)c(c1)C2=NCCC2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)C2=NCCC2)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)C2=NCCC2)F |