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

C30H16BF20N — CID 11735403

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

tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethylazanium (PubChem CID 11735403) has the molecular formula C30H16BF20N and a molecular weight of 781.24 g/mol. Its IUPAC name is tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethylazanium.

Molecular Properties

• Compound Name: tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethylazanium
• PubChem CID: 11735403
• Molecular Formula: C30H16BF20N
• Molecular Weight: 781.24 g/mol
• Exact Mass: 781.11
• IUPAC Name: tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethylazanium
• SMILES: CC[NH+](CC)CC.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.C6H15N/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;1-4-7(5-2)6-3/h;4-6H2,1-3H3/q-1;/p+1
• InChIKey: BOJSJKYSHLVBEK-UHFFFAOYSA-O
• XLogP: 5.78
• TPSA: 4.44 Ų
• H-Bond Donors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.24
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	0

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'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethylazanium?

The IUPAC name of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethylazanium (CID 11735403) is tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethylazanium.

What is the SMILES notation for tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethylazanium?

The canonical SMILES for tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethylazanium is CC[NH+](CC)CC.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 tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethylazanium?

The InChIKey is BOJSJKYSHLVBEK-UHFFFAOYSA-O. The full InChI is InChI=1S/C24BF20.C6H15N/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;1-4-7(5-2)6-3/h;4-6H2,1-3H3/q-1;/p+1.

What are the key properties of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethylazanium?

tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethylazanium has a molecular weight of 781.24 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethylazanium is sourced from PubChem (CID 11735403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).