5WK

2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol

Created:	2015-12-15
Last modified:	2016-03-02

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1 entries where 5WK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	11

2D diagram of 5WK

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Chemical Component Summary
Name	2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol
Systematic Name (OpenEye OEToolkits)	2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol
Formula	C₁₁ H₈ F₄ N₂ O
Molecular Weight	260.188
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccccc1c2cc([nH]n2)C(F)(F)C(F)F
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(c(c1)c2cc([nH]n2)C(C(F)F)(F)F)O
Canonical SMILES	CACTVS	3.385	Oc1ccccc1c2cc([nH]n2)C(F)(F)C(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1ccc(c(c1)c2cc([nH]n2)C(C(F)F)(F)F)O
InChI	InChI	1.03	InChI=1S/C11H8F4N2O/c12-10(13)11(14,15)9-5-7(16-17-9)6-3-1-2-4-8(6)18/h1-5,10,18H,(H,16,17)
InChIKey	InChI	1.03	AZBWBPKELVSJMM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	762936
ChEMBL	CHEMBL1312571

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