potassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide

C28H12BF16KO4 — CID 139958531

IUPACpotassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide
SMILESCOc1c(F)c(F)c(F)c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1OC)(c1c(F)c(F)c(F)c(F)c1OC)c1c(F)c(F)c(F)c(F)c1OC.[K+]
InChIInChI=1S/C28H12BF16O4.K/c1-46-25-5(9(30)13(34)17(38)21(25)42)29(6-10(31)14(35)18(39)22(43)26(6)47-2,7-11(32)15(36)19(40)23(44)27(7)48-3)8-12(33)16(37)20(41)24(45)28(8)49-4;/h1-4H3;/q-1;+1
InChIKeyGZBTZHJNEABYGC-UHFFFAOYSA-N
MW766.28 g/mol
LogP2.33
Rot. Bonds8

About potassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide

potassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide (PubChem CID 139958531) has the molecular formula C28H12BF16KO4 and a molecular weight of 766.28 g/mol. Its IUPAC name is potassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide.

Molecular Properties

Compound Namepotassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide
PubChem CID139958531
Molecular FormulaC28H12BF16KO4
Molecular Weight766.28 g/mol
Exact Mass766.02
IUPAC Namepotassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide
SMILESCOc1c(F)c(F)c(F)c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1OC)(c1c(F)c(F)c(F)c(F)c1OC)c1c(F)c(F)c(F)c(F)c1OC.[K+]
InChIInChI=1S/C28H12BF16O4.K/c1-46-25-5(9(30)13(34)17(38)21(25)42)29(6-10(31)14(35)18(39)22(43)26(6)47-2,7-11(32)15(36)19(40)23(44)27(7)48-3)8-12(33)16(37)20(41)24(45)28(8)49-4;/h1-4H3;/q-1;+1
InChIKeyGZBTZHJNEABYGC-UHFFFAOYSA-N
XLogP2.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500766.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

benzyl(diethyl)azanium;tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide
CID 87935462
potassium;1,2-dimethoxyethane;hydride;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 173209583
sodium;1,2-dimethoxyethane;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 23669690
dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 173034604
ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 140502353
lithium;1,2-dimethoxyethane;hydride;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 173209656
magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride
CID 175877855
Lithiumtetrakis(pentafluorophenyl)boric acid
CID 86750431
1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene
CID 130926131
bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87467756
ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87610045
1-methoxypyridin-1-ium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139732586

Frequently Asked Questions

What is the IUPAC name of potassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide?
The IUPAC name of potassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide (CID 139958531) is potassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide.
What is the SMILES notation for potassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide?
The canonical SMILES for potassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide is COc1c(F)c(F)c(F)c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1OC)(c1c(F)c(F)c(F)c(F)c1OC)c1c(F)c(F)c(F)c(F)c1OC.[K+].
What is the InChIKey of potassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide?
The InChIKey is GZBTZHJNEABYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H12BF16O4.K/c1-46-25-5(9(30)13(34)17(38)21(25)42)29(6-10(31)14(35)18(39)22(43)26(6)47-2,7-11(32)15(36)19(40)23(44)27(7)48-3)8-12(33)16(37)20(41)24(45)28(8)49-4;/h1-4H3;/q-1;+1.
What are the key properties of potassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide?
potassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide has a molecular weight of 766.28 g/mol, XLogP of 2.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide is sourced from PubChem (CID 139958531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).