YXK

[1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]acetonitrile

Created:2023-06-22
Last modified:  2023-07-12

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count19
Aromatic Bond Count5
2D diagram of YXK

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Chemical Component Summary

Name[1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]acetonitrile
Systematic Name (OpenEye OEToolkits)2-[1-[2,2,2-tris(fluoranyl)ethyl]imidazol-2-yl]ethanenitrile
FormulaC7 H6 F3 N3
Molecular Weight189.138
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)Cn1ccnc1CC#N
SMILESCACTVS3.385FC(F)(F)Cn1ccnc1CC#N
SMILESOpenEye OEToolkits2.0.7c1cn(c(n1)CC#N)CC(F)(F)F
Canonical SMILESCACTVS3.385 FC(F)(F)Cn1ccnc1CC#N
Canonical SMILESOpenEye OEToolkits2.0.7 c1cn(c(n1)CC#N)CC(F)(F)F
InChIInChI1.06 InChI=1S/C7H6F3N3/c8-7(9,10)5-13-4-3-12-6(13)1-2-11/h3-4H,1,5H2
InChIKeyInChI1.06 WWHCIFNAXSSZJE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 50989384