1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene

C18H3F10I — CID 144908528

IUPAC1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
SMILESFc1c(F)c(F)c(-c2cccc(-c3c(F)c(F)c(F)c(F)c3F)c2I)c(F)c1F
InChIInChI=1S/C18H3F10I/c19-8-6(9(20)13(24)16(27)12(8)23)4-2-1-3-5(18(4)29)7-10(21)14(25)17(28)15(26)11(7)22/h1-3H
InChIKeyAXGCCZONEMHFGK-UHFFFAOYSA-N
MW536.11 g/mol
LogP7.02
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene

1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene (PubChem CID 144908528) has the molecular formula C18H3F10I and a molecular weight of 536.11 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
PubChem CID144908528
Molecular FormulaC18H3F10I
Molecular Weight536.11 g/mol
Exact Mass535.91
IUPAC Name1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
SMILESFc1c(F)c(F)c(-c2cccc(-c3c(F)c(F)c(F)c(F)c3F)c2I)c(F)c1F
InChIInChI=1S/C18H3F10I/c19-8-6(9(20)13(24)16(27)12(8)23)4-2-1-3-5(18(4)29)7-10(21)14(25)17(28)15(26)11(7)22/h1-3H
InChIKeyAXGCCZONEMHFGK-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.11
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 175418212
1,2,3,4,9,10,11,12-octafluorotetraphenylene
CID 59855591
1,2,3,4,5-pentafluoro-6-(2-fluoro-3-nitrophenyl)benzene
CID 134617355
1,2,3,4,5-pentafluoro-6-[2-methyl-3-(trifluoromethyl)phenyl]benzene
CID 134620901
1-[3-chloro-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene
CID 134625874
2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 134617305
1-(2-tert-butylphenyl)-2,3,4,5,6-pentafluorobenzene
CID 54238945
1-[2-(2,3-difluorophenyl)-4-fluorophenyl]-2,3,4,5,6-pentafluorobenzene
CID 157170971
1-fluoro-3-(2-fluorophenyl)-2-iodobenzene
CID 46313915
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
[2-(2,3,4,5,6-pentafluorophenyl)phenyl]-diphenylphosphane
CID 158378188
2-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride
CID 87415927

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene (CID 144908528) is 1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene is Fc1c(F)c(F)c(-c2cccc(-c3c(F)c(F)c(F)c(F)c3F)c2I)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene?
The InChIKey is AXGCCZONEMHFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H3F10I/c19-8-6(9(20)13(24)16(27)12(8)23)4-2-1-3-5(18(4)29)7-10(21)14(25)17(28)15(26)11(7)22/h1-3H.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene?
1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene has a molecular weight of 536.11 g/mol, XLogP of 7.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene is sourced from PubChem (CID 144908528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).