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

C30H15BF20O — CID 18521366

IUPACtetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethyloxidanium
SMILESCC[O+](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
InChIInChI=1S/C24BF20.C6H15O/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;+1
InChIKeyCVKRUTZFGZVTLI-UHFFFAOYSA-N
MW782.22 g/mol
LogP7.44
Rot. Bonds7

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

tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethyloxidanium (PubChem CID 18521366) has the molecular formula C30H15BF20O and a molecular weight of 782.22 g/mol. Its IUPAC name is tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethyloxidanium.

Molecular Properties

Compound Nametetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethyloxidanium
PubChem CID18521366
Molecular FormulaC30H15BF20O
Molecular Weight782.22 g/mol
Exact Mass782.09
IUPAC Nametetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethyloxidanium
SMILESCC[O+](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
InChIInChI=1S/C24BF20.C6H15O/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;+1
InChIKeyCVKRUTZFGZVTLI-UHFFFAOYSA-N
XLogP7.44
TPSA2.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.22
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', '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'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethyloxidanium?
The IUPAC name of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethyloxidanium (CID 18521366) is tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethyloxidanium.
What is the SMILES notation for tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethyloxidanium?
The canonical SMILES for tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethyloxidanium is CC[O+](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;triethyloxidanium?
The InChIKey is CVKRUTZFGZVTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF20.C6H15O/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;+1.
What are the key properties of tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethyloxidanium?
tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;triethyloxidanium has a molecular weight of 782.22 g/mol, XLogP of 7.44, 7 rotatable bonds, 0 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;triethyloxidanium is sourced from PubChem (CID 18521366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).