potassium (4-chloro-3-hydroxyphenyl)-trifluoroboranuide

C6H4BClF3KO — CID 166000242

IUPACpotassium (4-chloro-3-hydroxyphenyl)-trifluoroboranuide
SMILESOc1cc([B-](F)(F)F)ccc1Cl.[K+]
InChIInChI=1S/C6H4BClF3O.K/c8-5-2-1-4(3-6(5)12)7(9,10)11;/h1-3,12H;/q-1;+1
InChIKeyWFJHEKTUPPHPEK-UHFFFAOYSA-N
MW234.45 g/mol
LogP-0.90
Rot. Bonds1

About potassium (4-chloro-3-hydroxyphenyl)-trifluoroboranuide

potassium (4-chloro-3-hydroxyphenyl)-trifluoroboranuide (PubChem CID 166000242) has the molecular formula C6H4BClF3KO and a molecular weight of 234.45 g/mol. Its IUPAC name is potassium (4-chloro-3-hydroxyphenyl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (4-chloro-3-hydroxyphenyl)-trifluoroboranuide
PubChem CID166000242
Molecular FormulaC6H4BClF3KO
Molecular Weight234.45 g/mol
Exact Mass233.96
IUPAC Namepotassium (4-chloro-3-hydroxyphenyl)-trifluoroboranuide
SMILESOc1cc([B-](F)(F)F)ccc1Cl.[K+]
InChIInChI=1S/C6H4BClF3O.K/c8-5-2-1-4(3-6(5)12)7(9,10)11;/h1-3,12H;/q-1;+1
InChIKeyWFJHEKTUPPHPEK-UHFFFAOYSA-N
XLogP-0.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.45
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-chloro-3-hydroxyphenyl)-trifluoroboranuide?
The IUPAC name of potassium (4-chloro-3-hydroxyphenyl)-trifluoroboranuide (CID 166000242) is potassium (4-chloro-3-hydroxyphenyl)-trifluoroboranuide.
What is the SMILES notation for potassium (4-chloro-3-hydroxyphenyl)-trifluoroboranuide?
The canonical SMILES for potassium (4-chloro-3-hydroxyphenyl)-trifluoroboranuide is Oc1cc([B-](F)(F)F)ccc1Cl.[K+].
What is the InChIKey of potassium (4-chloro-3-hydroxyphenyl)-trifluoroboranuide?
The InChIKey is WFJHEKTUPPHPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BClF3O.K/c8-5-2-1-4(3-6(5)12)7(9,10)11;/h1-3,12H;/q-1;+1.
What are the key properties of potassium (4-chloro-3-hydroxyphenyl)-trifluoroboranuide?
potassium (4-chloro-3-hydroxyphenyl)-trifluoroboranuide has a molecular weight of 234.45 g/mol, XLogP of -0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4-chloro-3-hydroxyphenyl)-trifluoroboranuide is sourced from PubChem (CID 166000242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).