bis(5-fluorofuran-2-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C32H4BF22IO2 — CID 139729161

IUPACbis(5-fluorofuran-2-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1ccc([I+]c2ccc(F)o2)o1
InChIInChI=1S/C24BF20.C8H4F2IO2/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;9-5-1-3-7(12-5)11-8-4-2-6(10)13-8/h;1-4H/q-1;+1
InChIKeyMJFSIZTZTFPZGL-UHFFFAOYSA-N
MW976.05 g/mol
LogP5.13
Rot. Bonds6

About bis(5-fluorofuran-2-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

bis(5-fluorofuran-2-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 139729161) has the molecular formula C32H4BF22IO2 and a molecular weight of 976.05 g/mol. Its IUPAC name is bis(5-fluorofuran-2-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Namebis(5-fluorofuran-2-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID139729161
Molecular FormulaC32H4BF22IO2
Molecular Weight976.05 g/mol
Exact Mass975.90
IUPAC Namebis(5-fluorofuran-2-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1ccc([I+]c2ccc(F)o2)o1
InChIInChI=1S/C24BF20.C8H4F2IO2/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;9-5-1-3-7(12-5)11-8-4-2-6(10)13-8/h;1-4H/q-1;+1
InChIKeyMJFSIZTZTFPZGL-UHFFFAOYSA-N
XLogP5.13
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.05
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(5-fluorofuran-2-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of bis(5-fluorofuran-2-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 139729161) is bis(5-fluorofuran-2-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for bis(5-fluorofuran-2-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for bis(5-fluorofuran-2-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1ccc([I+]c2ccc(F)o2)o1.
What is the InChIKey of bis(5-fluorofuran-2-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is MJFSIZTZTFPZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF20.C8H4F2IO2/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;9-5-1-3-7(12-5)11-8-4-2-6(10)13-8/h;1-4H/q-1;+1.
What are the key properties of bis(5-fluorofuran-2-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
bis(5-fluorofuran-2-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 976.05 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-fluorofuran-2-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 139729161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).