palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate

C26H3BF20O2Pd — CID 175989138

IUPACpalladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate
SMILESCC(=O)[O-].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.[Pd+2]
InChIInChI=1S/C24BF20.C2H4O2.Pd/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;1-2(3)4;/h;1H3,(H,3,4);/q-1;;+2/p-1
InChIKeyVMXOGMZDTBROFR-UHFFFAOYSA-M
MW844.50 g/mol
LogP4.60
Rot. Bonds4

About palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate

palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate (PubChem CID 175989138) has the molecular formula C26H3BF20O2Pd and a molecular weight of 844.50 g/mol. Its IUPAC name is palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate.

Molecular Properties

Compound Namepalladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate
PubChem CID175989138
Molecular FormulaC26H3BF20O2Pd
Molecular Weight844.50 g/mol
Exact Mass843.89
IUPAC Namepalladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate
SMILESCC(=O)[O-].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.[Pd+2]
InChIInChI=1S/C24BF20.C2H4O2.Pd/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;1-2(3)4;/h;1H3,(H,3,4);/q-1;;+2/p-1
InChIKeyVMXOGMZDTBROFR-UHFFFAOYSA-M
XLogP4.60
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500844.50
LogP ≤ 54.60
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'}

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Frequently Asked Questions

What is the IUPAC name of palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate?
The IUPAC name of palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate (CID 175989138) is palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate.
What is the SMILES notation for palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate?
The canonical SMILES for palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate is CC(=O)[O-].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.[Pd+2].
What is the InChIKey of palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate?
The InChIKey is VMXOGMZDTBROFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C24BF20.C2H4O2.Pd/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;1-2(3)4;/h;1H3,(H,3,4);/q-1;;+2/p-1.
What are the key properties of palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate?
palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate has a molecular weight of 844.50 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate is sourced from PubChem (CID 175989138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).