7H1

2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide

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

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2 entries where 7H1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	6

2D diagram of 7H1

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Chemical Component Summary
Name	2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide
Systematic Name (OpenEye OEToolkits)	2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide
Formula	C₁₄ H₈ F₁₂ N₂ O₃
Molecular Weight	480.206
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1
SMILES	OpenEye OEToolkits	2.0.5	c1ccc(cc1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Canonical SMILES	CACTVS	3.385	ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1ccc(cc1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI	InChI	1.03	InChI=1S/C14H8F12N2O3/c15-9(16,7(29)27-6-4-2-1-3-5-6)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8(30)28-31/h1-5,31H,(H,27,29)(H,28,30)
InChIKey	InChI	1.03	PVEUUUJZCFCCIZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	56951447
ChEMBL	CHEMBL1934890

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