methyl(naphthalen-1-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C35H10BF20I — CID 87832669

About methyl(naphthalen-1-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

methyl(naphthalen-1-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 87832669) has the molecular formula C35H10BF20I and a molecular weight of 948.14 g/mol. Its IUPAC name is methyl(naphthalen-1-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

• Compound Name: methyl(naphthalen-1-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• PubChem CID: 87832669
• Molecular Formula: C35H10BF20I
• Molecular Weight: 948.14 g/mol
• Exact Mass: 947.96
• IUPAC Name: methyl(naphthalen-1-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• SMILES: C[I+]c1cccc2ccccc12.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
• InChI: InChI=1S/C24BF20.C11H10I/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;1-12-11-8-4-6-9-5-2-3-7-10(9)11/h;2-8H,1H3/q-1;+1
• InChIKey: QGRUYUCWSQJRDH-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	948.14
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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'}

Frequently Asked Questions

What is the IUPAC name of methyl(naphthalen-1-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The IUPAC name of methyl(naphthalen-1-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 87832669) is methyl(naphthalen-1-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

What is the SMILES notation for methyl(naphthalen-1-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The canonical SMILES for methyl(naphthalen-1-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is C[I+]c1cccc2ccccc12.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.

What is the InChIKey of methyl(naphthalen-1-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The InChIKey is QGRUYUCWSQJRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF20.C11H10I/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;1-12-11-8-4-6-9-5-2-3-7-10(9)11/h;2-8H,1H3/q-1;+1.

What are the key properties of methyl(naphthalen-1-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

methyl(naphthalen-1-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 948.14 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for methyl(naphthalen-1-yl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 87832669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).