HCID334666

1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole

1-(2,5-dihydropyrrol-1-yl)-2,2,2-trifluoroethanone

C6H6F3NO165.11 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(N1CC=CC1)C(F)(F)F
InChIKey: LMPPMSXOYNPRQC-UHFFFAOYSA-N
分子式: C6H6F3NO
平均分子量: 165.11 g/mol
单同位素质量: 165.0401483

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 20.3 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 188

ALIASES

名称与别名

共 23 条

111185-41-21-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole1-(2,5-Dihydro-1H-pyrrol-1-yl)-2,2,2-trifluoroethanone1-(2,5-dihydropyrrol-1-yl)-2,2,2-trifluoroethanoneC6H6F3NO1H-Pyrrole, 2,5-dihydro-1-(trifluoroacetyl)- (9CI)MFCD180646431-(2,5-dihydro-1H-pyrrol-1-yl)-2,2,2-trifluoroethan-1-one8777AC1H-Pyrrole, 2,5-dihydro-1-(trifluoroacetyl)-NSC3405331-(2,5-Dihydro-1-pyrrolyl)-2,2,2-trifluoroethanoneSCHEMBL5383011ALBB-0150651-trifluoroacetyl-2,5-dihydropyrroleAKOS005175058NSC-340533LS-04788SY086178DB-121827

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2007_05 · 10.6084/m9.figshare.5104873.v1 · US07223759B2

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uspto-grants-2007_05 · 10.6084/m9.figshare.5104873.v1 · US07223759B2

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