6DK

9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide

Created:	2016-03-24
Last modified:	2016-11-30

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2 entries where 6DK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	6

2D diagram of 6DK

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Chemical Component Summary
Name	9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide
Systematic Name (OpenEye OEToolkits)	9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide
Formula	C₁₅ H₂₀ F₃ N O₃
Molecular Weight	319.319
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(O)(CCCCCCC(=O)Nc1ccccc1)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.5	c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O
Canonical SMILES	CACTVS	3.385	OC(O)(CCCCCCC(=O)Nc1ccccc1)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O
InChI	InChI	1.03	InChI=1S/C15H20F3NO3/c16-15(17,18)14(21,22)11-7-2-1-6-10-13(20)19-12-8-4-3-5-9-12/h3-5,8-9,21-22H,1-2,6-7,10-11H2,(H,19,20)
InChIKey	InChI	1.03	DOVGAPNVSPZBAT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	122391197

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.