potassium (4-chlorophenyl)-trifluoroboranuide

C6H4BClF3K — CID 23682053

IUPACpotassium (4-chlorophenyl)-trifluoroboranuide
SMILESF[B-](F)(F)c1ccc(Cl)cc1.[K+]
InChIInChI=1S/C6H4BClF3.K/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H;/q-1;+1
InChIKeyGXBSKMLVYJPMRT-UHFFFAOYSA-N
MW218.46 g/mol
LogP-0.60
Rot. Bonds1

About potassium (4-chlorophenyl)-trifluoroboranuide

potassium (4-chlorophenyl)-trifluoroboranuide (PubChem CID 23682053) has the molecular formula C6H4BClF3K and a molecular weight of 218.46 g/mol. Its IUPAC name is potassium (4-chlorophenyl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (4-chlorophenyl)-trifluoroboranuide
PubChem CID23682053
Molecular FormulaC6H4BClF3K
Molecular Weight218.46 g/mol
Exact Mass217.97
IUPAC Namepotassium (4-chlorophenyl)-trifluoroboranuide
SMILESF[B-](F)(F)c1ccc(Cl)cc1.[K+]
InChIInChI=1S/C6H4BClF3.K/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H;/q-1;+1
InChIKeyGXBSKMLVYJPMRT-UHFFFAOYSA-N
XLogP-0.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.46
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium (4-chlorophenyl)-trifluoroboranuide?
The IUPAC name of potassium (4-chlorophenyl)-trifluoroboranuide (CID 23682053) is potassium (4-chlorophenyl)-trifluoroboranuide.
What is the SMILES notation for potassium (4-chlorophenyl)-trifluoroboranuide?
The canonical SMILES for potassium (4-chlorophenyl)-trifluoroboranuide is F[B-](F)(F)c1ccc(Cl)cc1.[K+].
What is the InChIKey of potassium (4-chlorophenyl)-trifluoroboranuide?
The InChIKey is GXBSKMLVYJPMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BClF3.K/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-4H;/q-1;+1.
What are the key properties of potassium (4-chlorophenyl)-trifluoroboranuide?
potassium (4-chlorophenyl)-trifluoroboranuide has a molecular weight of 218.46 g/mol, XLogP of -0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4-chlorophenyl)-trifluoroboranuide is sourced from PubChem (CID 23682053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).