sodium;tetrakis(4-fluorophenyl)boranuide;hydrate

C24H18BF4NaO — CID 44890704

IUPACsodium;tetrakis(4-fluorophenyl)boranuide;hydrate
SMILESFc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.O.[Na+]
InChIInChI=1S/C24H16BF4.Na.H2O/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;;/h1-16H;;1H2/q-1;+1;
InChIKeyYNVHZVITHIOAMT-UHFFFAOYSA-N
MW432.20 g/mol
LogP-0.20
Rot. Bonds4

About sodium;tetrakis(4-fluorophenyl)boranuide;hydrate

sodium;tetrakis(4-fluorophenyl)boranuide;hydrate (PubChem CID 44890704) has the molecular formula C24H18BF4NaO and a molecular weight of 432.20 g/mol. Its IUPAC name is sodium;tetrakis(4-fluorophenyl)boranuide;hydrate.

Molecular Properties

Compound Namesodium;tetrakis(4-fluorophenyl)boranuide;hydrate
PubChem CID44890704
Molecular FormulaC24H18BF4NaO
Molecular Weight432.20 g/mol
Exact Mass432.13
IUPAC Namesodium;tetrakis(4-fluorophenyl)boranuide;hydrate
SMILESFc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.O.[Na+]
InChIInChI=1S/C24H16BF4.Na.H2O/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;;/h1-16H;;1H2/q-1;+1;
InChIKeyYNVHZVITHIOAMT-UHFFFAOYSA-N
XLogP-0.20
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tetrakis(4-fluorophenyl)boranuide;1,1,3,3-tetramethylguanidine
CID 175823163
1,4-difluorobenzene bromide
CID 21301175
tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide
CID 139766252
didodecylazanium;tetrakis(4-fluorophenyl)boranuide
CID 139833691
cesium cyano-difluoro-(4-fluorophenyl)boranuide
CID 89251521
tetrakis(4-fluorophenyl)boranuide;tridodecyl(methyl)azanium
CID 90018831
(4-fluorophenyl)phosphanium tetrafluoroborate
CID 174967480
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
sodium fluorobenzene
CID 86652199
CID 174934257
CID 174934257
difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide
CID 140908387

Frequently Asked Questions

What is the IUPAC name of sodium;tetrakis(4-fluorophenyl)boranuide;hydrate?
The IUPAC name of sodium;tetrakis(4-fluorophenyl)boranuide;hydrate (CID 44890704) is sodium;tetrakis(4-fluorophenyl)boranuide;hydrate.
What is the SMILES notation for sodium;tetrakis(4-fluorophenyl)boranuide;hydrate?
The canonical SMILES for sodium;tetrakis(4-fluorophenyl)boranuide;hydrate is Fc1ccc([B-](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.O.[Na+].
What is the InChIKey of sodium;tetrakis(4-fluorophenyl)boranuide;hydrate?
The InChIKey is YNVHZVITHIOAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BF4.Na.H2O/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;;/h1-16H;;1H2/q-1;+1;.
What are the key properties of sodium;tetrakis(4-fluorophenyl)boranuide;hydrate?
sodium;tetrakis(4-fluorophenyl)boranuide;hydrate has a molecular weight of 432.20 g/mol, XLogP of -0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tetrakis(4-fluorophenyl)boranuide;hydrate is sourced from PubChem (CID 44890704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).