iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C30H5BF20I- — CID 22222054

IUPACiodobenzene;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.Ic1ccccc1
InChIInChI=1S/C24BF20.C6H5I/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;7-6-4-2-1-3-5-6/h;1-5H/q-1;
InChIKeyAMXFPKXPUHAZTB-UHFFFAOYSA-N
MW883.05 g/mol
LogP8.14
Rot. Bonds4

About iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 22222054) has the molecular formula C30H5BF20I- and a molecular weight of 883.05 g/mol. Its IUPAC name is iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Nameiodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID22222054
Molecular FormulaC30H5BF20I-
Molecular Weight883.05 g/mol
Exact Mass882.92
IUPAC Nameiodobenzene;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.Ic1ccccc1
InChIInChI=1S/C24BF20.C6H5I/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;7-6-4-2-1-3-5-6/h;1-5H/q-1;
InChIKeyAMXFPKXPUHAZTB-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.05
LogP ≤ 58.14
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 22222054) is iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for iodobenzene;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.Ic1ccccc1.
What is the InChIKey of iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is AMXFPKXPUHAZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF20.C6H5I/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;7-6-4-2-1-3-5-6/h;1-5H/q-1;.
What are the key properties of iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 883.05 g/mol, XLogP of 8.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 22222054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).