YXK

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

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

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2 entries where YXK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	5

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
Formula	C₇ H₆ F₃ N₃
Molecular Weight	189.138
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)Cn1ccnc1CC#N
SMILES	CACTVS	3.385	FC(F)(F)Cn1ccnc1CC#N
SMILES	OpenEye OEToolkits	2.0.7	c1cn(c(n1)CC#N)CC(F)(F)F
Canonical SMILES	CACTVS	3.385	FC(F)(F)Cn1ccnc1CC#N
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cn(c(n1)CC#N)CC(F)(F)F
InChI	InChI	1.06	InChI=1S/C7H6F3N3/c8-7(9,10)5-13-4-3-12-6(13)1-2-11/h3-4H,1,5H2
InChIKey	InChI	1.06	WWHCIFNAXSSZJE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	50989384

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