WLG
1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one
Created: | 2020-10-30 |
Last modified: | 2020-11-11 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 31 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one |
Systematic Name (OpenEye OEToolkits) | 1-(5-azaspiro[2.5]octan-5-yl)-2-[bis(fluoranyl)methoxy]ethanone |
Formula | C10 H15 F2 N O2 |
Molecular Weight | 219.228 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C2CN(CC1(CC1)C2)C(COC(F)F)=O |
SMILES | CACTVS | 3.385 | FC(F)OCC(=O)N1CCCC2(CC2)C1 |
SMILES | OpenEye OEToolkits | 2.0.7 | C1CC2(CC2)CN(C1)C(=O)COC(F)F |
Canonical SMILES | CACTVS | 3.385 | FC(F)OCC(=O)N1CCCC2(CC2)C1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C1CC2(CC2)CN(C1)C(=O)COC(F)F |
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 |
Related Resource References
Resource Name | Reference |
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PubChem | 126769990 |