IBF

1,2,3,4,5-pentafluoro-6-iodobenzene

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

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2 entries where IBF 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 IBF

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Chemical Component Summary
Name	1,2,3,4,5-pentafluoro-6-iodobenzene
Systematic Name (OpenEye OEToolkits)	1,2,3,4,5-pentafluoro-6-iodo-benzene
Formula	C₆ F₅ I
Molecular Weight	293.961
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc1c(F)c(F)c(F)c(I)c1F
SMILES	CACTVS	3.341	Fc1c(F)c(F)c(I)c(F)c1F
SMILES	OpenEye OEToolkits	1.5.0	c1(c(c(c(c(c1F)F)I)F)F)F
Canonical SMILES	CACTVS	3.341	Fc1c(F)c(F)c(I)c(F)c1F
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1(c(c(c(c(c1F)F)I)F)F)F
InChI	InChI	1.03	InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey	InChI	1.03	OPYHNLNYCRZOGY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	70008
CCDC/CSD	LEZPOW, NAFXIE, JUXBIQ, MIRHIH, KETWEO, NAFXUQ, LEZPIQ, NUQTIE, FUYFAI03, NAFXEA, KETWIS, LEZQAJ, FUYFAI04, LEZPUC, AXURUI, AJOHOZ, DUDHUI, GAJRER, LINTUZ, FUYFAI05, OHOJUT, MIJXEL, IKIXOR, NIKLIF, EBIHEF, JUXBOW, GUQQIU, IQEWIK, NEHCUB, LOWTUP, IKIYAE, CUPKII, IKIYEI, LEZPUC01, ITEYUE, ITEZEP, AWUXAU, IJECEI, ITEZAL, LAHFIN, IKUCID
COD	7223958

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.