1,3,4,5,6,7-hexafluoro-1,3-bis(2,3,4,5,6-pentafluorophenyl)-2-benzofuran

C20F16O — CID 134158738

IUPAC1,3,4,5,6,7-hexafluoro-1,3-bis(2,3,4,5,6-pentafluorophenyl)-2-benzofuran
SMILESFc1c(F)c(F)c(C2(F)OC(F)(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c32)c(F)c1F
InChIInChI=1S/C20F16O/c21-5-1-2(6(22)12(28)11(5)27)20(36,4-9(25)15(31)18(34)16(32)10(4)26)37-19(1,35)3-7(23)13(29)17(33)14(30)8(3)24
InChIKeyWOGWDOFZMDVVGY-UHFFFAOYSA-N
MW560.19 g/mol
LogP7.01
Rot. Bonds2

About 1,3,4,5,6,7-hexafluoro-1,3-bis(2,3,4,5,6-pentafluorophenyl)-2-benzofuran

1,3,4,5,6,7-hexafluoro-1,3-bis(2,3,4,5,6-pentafluorophenyl)-2-benzofuran (PubChem CID 134158738) has the molecular formula C20F16O and a molecular weight of 560.19 g/mol. Its IUPAC name is 1,3,4,5,6,7-hexafluoro-1,3-bis(2,3,4,5,6-pentafluorophenyl)-2-benzofuran.

Molecular Properties

Compound Name1,3,4,5,6,7-hexafluoro-1,3-bis(2,3,4,5,6-pentafluorophenyl)-2-benzofuran
PubChem CID134158738
Molecular FormulaC20F16O
Molecular Weight560.19 g/mol
Exact Mass559.97
IUPAC Name1,3,4,5,6,7-hexafluoro-1,3-bis(2,3,4,5,6-pentafluorophenyl)-2-benzofuran
SMILESFc1c(F)c(F)c(C2(F)OC(F)(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c32)c(F)c1F
InChIInChI=1S/C20F16O/c21-5-1-2(6(22)12(28)11(5)27)20(36,4-9(25)15(31)18(34)16(32)10(4)26)37-19(1,35)3-7(23)13(29)17(33)14(30)8(3)24
InChIKeyWOGWDOFZMDVVGY-UHFFFAOYSA-N
XLogP7.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.19
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,7-hexafluoro-1,3-bis(2,3,4,5,6-pentafluorophenyl)-2-benzofuran?
The IUPAC name of 1,3,4,5,6,7-hexafluoro-1,3-bis(2,3,4,5,6-pentafluorophenyl)-2-benzofuran (CID 134158738) is 1,3,4,5,6,7-hexafluoro-1,3-bis(2,3,4,5,6-pentafluorophenyl)-2-benzofuran.
What is the SMILES notation for 1,3,4,5,6,7-hexafluoro-1,3-bis(2,3,4,5,6-pentafluorophenyl)-2-benzofuran?
The canonical SMILES for 1,3,4,5,6,7-hexafluoro-1,3-bis(2,3,4,5,6-pentafluorophenyl)-2-benzofuran is Fc1c(F)c(F)c(C2(F)OC(F)(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c32)c(F)c1F.
What is the InChIKey of 1,3,4,5,6,7-hexafluoro-1,3-bis(2,3,4,5,6-pentafluorophenyl)-2-benzofuran?
The InChIKey is WOGWDOFZMDVVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20F16O/c21-5-1-2(6(22)12(28)11(5)27)20(36,4-9(25)15(31)18(34)16(32)10(4)26)37-19(1,35)3-7(23)13(29)17(33)14(30)8(3)24.
What are the key properties of 1,3,4,5,6,7-hexafluoro-1,3-bis(2,3,4,5,6-pentafluorophenyl)-2-benzofuran?
1,3,4,5,6,7-hexafluoro-1,3-bis(2,3,4,5,6-pentafluorophenyl)-2-benzofuran has a molecular weight of 560.19 g/mol, XLogP of 7.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,7-hexafluoro-1,3-bis(2,3,4,5,6-pentafluorophenyl)-2-benzofuran is sourced from PubChem (CID 134158738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).