HCID537575

2,2,2-Trifluoro-N-(pyrrolidin-3-YL)acetamide

2,2,2-trifluoro-N-pyrrolidin-3-ylacetamide

C6H9F3N2O182.14 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(NC1CCNC1)C(F)(F)F
InChIKey: MWYCOIQCRXURNA-UHFFFAOYSA-N
分子式: C6H9F3N2O
平均分子量: 182.14 g/mol
单同位素质量: 182.0666974

COMPUTED

结构计算性质

已同步

XLogP: 0.4
极性表面积: 41.1 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 180

ALIASES

名称与别名

共 8 条

2,2,2-TRIFLUORO-N-(PYRROLIDIN-3-YL)ACETAMIDE3-trifluoroacetylaminopyrrolidine2,2,2-Trifluoro-N-pyrrolidin-3-yl-acetamideSCHEMBL1029383SCHEMBL1490113AKOS0091588833-(2,2,2-trifluoroacetylamino)pyrrolidineCS-0205027

REACTIONS

参与反应

9 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID199192

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID206334

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID694992

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID851091

uspto-grants-1983_05

作为反应物

uspto-grants-1983_05 · 10.6084/m9.figshare.5104873.v1 · US04382937

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HRID938112

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID1138093

Training data from https://doi.org/10.1039/C8SC04228D (7/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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HRID1949450

uspto-grants-2013_03

作为反应物

uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08399681B2

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HRID2053995

uspto-grants-2008_02

作为反应物

uspto-grants-2008_02 · 10.6084/m9.figshare.5104873.v1 · US07326791B2

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