potassium tetrakis(3-fluorophenyl)boranuide

C24H16BF4K — CID 139716040

IUPACpotassium tetrakis(3-fluorophenyl)boranuide
SMILESFc1cccc([B-](c2cccc(F)c2)(c2cccc(F)c2)c2cccc(F)c2)c1.[K+]
InChIInChI=1S/C24H16BF4.K/c26-21-9-1-5-17(13-21)25(18-6-2-10-22(27)14-18,19-7-3-11-23(28)15-19)20-8-4-12-24(29)16-20;/h1-16H;/q-1;+1
InChIKeyBGDUOEGNKWEJNM-UHFFFAOYSA-N
MW430.29 g/mol
LogP0.62
Rot. Bonds4

About potassium tetrakis(3-fluorophenyl)boranuide

potassium tetrakis(3-fluorophenyl)boranuide (PubChem CID 139716040) has the molecular formula C24H16BF4K and a molecular weight of 430.29 g/mol. Its IUPAC name is potassium tetrakis(3-fluorophenyl)boranuide.

Molecular Properties

Compound Namepotassium tetrakis(3-fluorophenyl)boranuide
PubChem CID139716040
Molecular FormulaC24H16BF4K
Molecular Weight430.29 g/mol
Exact Mass430.09
IUPAC Namepotassium tetrakis(3-fluorophenyl)boranuide
SMILESFc1cccc([B-](c2cccc(F)c2)(c2cccc(F)c2)c2cccc(F)c2)c1.[K+]
InChIInChI=1S/C24H16BF4.K/c26-21-9-1-5-17(13-21)25(18-6-2-10-22(27)14-18,19-7-3-11-23(28)15-19)20-8-4-12-24(29)16-20;/h1-16H;/q-1;+1
InChIKeyBGDUOEGNKWEJNM-UHFFFAOYSA-N
XLogP0.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.29
LogP ≤ 50.62
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(3-fluorophenyl)boranuide;tributylazanium
CID 18315036
2-phenylprop-2-enyloxidanium;tetrakis(3-fluorophenyl)boranuide
CID 21079487
1,3-difluorobenzene;1,4-difluorobenzene
CID 159873588
1,3-difluorobenzene;methanol
CID 144994633
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
ethane;1-fluoro-3-methylbenzene
CID 123790085
3-chloro-1-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 71309867
(3-fluorophenyl)-hexyl-diphenylboranuide
CID 176748764
potassium;1-fluoro-3-methanidylbenzene;trifluoroborane
CID 175220113
1,3-difluorobenzene;formic acid
CID 158586074
acetaldehyde;1,3-difluorobenzene
CID 160854263

Frequently Asked Questions

What is the IUPAC name of potassium tetrakis(3-fluorophenyl)boranuide?
The IUPAC name of potassium tetrakis(3-fluorophenyl)boranuide (CID 139716040) is potassium tetrakis(3-fluorophenyl)boranuide.
What is the SMILES notation for potassium tetrakis(3-fluorophenyl)boranuide?
The canonical SMILES for potassium tetrakis(3-fluorophenyl)boranuide is Fc1cccc([B-](c2cccc(F)c2)(c2cccc(F)c2)c2cccc(F)c2)c1.[K+].
What is the InChIKey of potassium tetrakis(3-fluorophenyl)boranuide?
The InChIKey is BGDUOEGNKWEJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BF4.K/c26-21-9-1-5-17(13-21)25(18-6-2-10-22(27)14-18,19-7-3-11-23(28)15-19)20-8-4-12-24(29)16-20;/h1-16H;/q-1;+1.
What are the key properties of potassium tetrakis(3-fluorophenyl)boranuide?
potassium tetrakis(3-fluorophenyl)boranuide has a molecular weight of 430.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium tetrakis(3-fluorophenyl)boranuide is sourced from PubChem (CID 139716040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).