HFB

hexafluorobenzene

Created:	2008-07-11
Last modified:	2011-06-04

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1 entries where HFB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	12
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	6

2D diagram of HFB

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Chemical Component Summary
Name	hexafluorobenzene
Systematic Name (OpenEye OEToolkits)	1,2,3,4,5,6-hexafluorobenzene
Formula	C₆ F₆
Molecular Weight	186.055
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc1c(F)c(F)c(F)c(F)c1F
SMILES	CACTVS	3.341	Fc1c(F)c(F)c(F)c(F)c1F
SMILES	OpenEye OEToolkits	1.5.0	c1(c(c(c(c(c1F)F)F)F)F)F
Canonical SMILES	CACTVS	3.341	Fc1c(F)c(F)c(F)c(F)c1F
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1(c(c(c(c(c1F)F)F)F)F)F
InChI	InChI	1.03	InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey	InChI	1.03	ZQBFAOFFOQMSGJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9805
ChEBI	CHEBI:38589
CCDC/CSD	GAPBUV, GAPCAC, BEZRUU, BEZSIJ, BICVUE01, FEYTEL, FEYSIO, BEZSAB, BEZSEF, FIBGUS, HORVOA, ICAQEK, HFBENZ02, GURNUD, FEYSUA, FEYTOV, HASBOU, GEKGIP, HORVUG, FEYSOU, FEYTIP, FEYTAH, FEYSEK, BICVUE03, FIFJOV, FEYSAG, DMAFBZ01, HIRSUZ, BOBFOO, IKUZEV, HFBENZ18, HFBENZ15, HFBENZ19, HFBENZ17, HFBENZ16, ITUBEH, BICVUE05, HFBENZ08, HFBENZ07, HFBENZ09, HFBENZ14, HFBENZ13, HFBENZ10, HFBENZ11, HFBENZ06, HFBENZ12, HFBENZ04

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.