Lithiumtetrakis(pentafluorophenyl)boric acid

C24HBF20Li — CID 86750431

IUPAC—
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.[H+].[Li]
InChIInChI=1S/C24BF20.Li/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;/q-1;/p+1
InChIKeyBYPXYLVBZGNFRD-UHFFFAOYSA-O
MW686.98 g/mol
LogP5.58
Rot. Bonds4

About Lithiumtetrakis(pentafluorophenyl)boric acid

Lithiumtetrakis(pentafluorophenyl)boric acid (PubChem CID 86750431) has the molecular formula C24HBF20Li and a molecular weight of 686.98 g/mol.

Molecular Properties

Compound NameLithiumtetrakis(pentafluorophenyl)boric acid
PubChem CID86750431
Molecular FormulaC24HBF20Li
Molecular Weight686.98 g/mol
Exact Mass687.00
IUPAC Name—
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.[H+].[Li]
InChIInChI=1S/C24BF20.Li/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;/q-1;/p+1
InChIKeyBYPXYLVBZGNFRD-UHFFFAOYSA-O
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.98
LogP ≤ 55.58
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
magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride
CID 175877855
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
bis(dimethyl(phenyl)azanium);hydron;tris(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 139997769
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

Frequently Asked Questions

What is the IUPAC name of Lithiumtetrakis(pentafluorophenyl)boric acid?
The IUPAC name of Lithiumtetrakis(pentafluorophenyl)boric acid (CID 86750431) is not available.
What is the SMILES notation for Lithiumtetrakis(pentafluorophenyl)boric acid?
The canonical SMILES for Lithiumtetrakis(pentafluorophenyl)boric acid 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.[H+].[Li].
What is the InChIKey of Lithiumtetrakis(pentafluorophenyl)boric acid?
The InChIKey is BYPXYLVBZGNFRD-UHFFFAOYSA-O. The full InChI is InChI=1S/C24BF20.Li/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;/q-1;/p+1.
What are the key properties of Lithiumtetrakis(pentafluorophenyl)boric acid?
Lithiumtetrakis(pentafluorophenyl)boric acid has a molecular weight of 686.98 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Lithiumtetrakis(pentafluorophenyl)boric acid is sourced from PubChem (CID 86750431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).