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

C24BClF20Mg — CID 175877855

IUPACmagnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride
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.[Cl-].[Mg+2]
InChIInChI=1S/C24BF20.ClH.Mg/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;;/h;1H;/q-1;;+2/p-1
InChIKeyBIICNYDUXNGLHR-UHFFFAOYSA-M
MW738.79 g/mol
LogP2.47
Rot. Bonds4

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

magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride (PubChem CID 175877855) has the molecular formula C24BClF20Mg and a molecular weight of 738.79 g/mol. Its IUPAC name is magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride.

Molecular Properties

Compound Namemagnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride
PubChem CID175877855
Molecular FormulaC24BClF20Mg
Molecular Weight738.79 g/mol
Exact Mass737.93
IUPAC Namemagnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride
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.[Cl-].[Mg+2]
InChIInChI=1S/C24BF20.ClH.Mg/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;;/h;1H;/q-1;;+2/p-1
InChIKeyBIICNYDUXNGLHR-UHFFFAOYSA-M
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500738.79
LogP ≤ 52.47
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'}

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Related Compounds

ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 140502353
dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 173034604
Lithiumtetrakis(pentafluorophenyl)boric acid
CID 86750431
ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87610045
bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87467756
tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluorophenyl)boranuide
CID 11146777
palladium(2+);tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;acetate
CID 175989138
sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 23669690
lithium;1,2-dimethoxyethane;hydride;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 173209656
iodobenzene;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 22222054
potassium;1,2-dimethoxyethane;hydride;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 173209583
silver;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;toluene
CID 22335858

Frequently Asked Questions

What is the IUPAC name of magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride?
The IUPAC name of magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride (CID 175877855) is magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride.
What is the SMILES notation for magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride?
The canonical SMILES for magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride 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.[Cl-].[Mg+2].
What is the InChIKey of magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride?
The InChIKey is BIICNYDUXNGLHR-UHFFFAOYSA-M. The full InChI is InChI=1S/C24BF20.ClH.Mg/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;;/h;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride?
magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride has a molecular weight of 738.79 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride is sourced from PubChem (CID 175877855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).