potassium (2,3-dichlorophenyl)-trifluoroboranuide

C6H3BCl2F3K — CID 63676783

IUPACpotassium (2,3-dichlorophenyl)-trifluoroboranuide
SMILESF[B-](F)(F)c1cccc(Cl)c1Cl.[K+]
InChIInChI=1S/C6H3BCl2F3.K/c8-5-3-1-2-4(6(5)9)7(10,11)12;/h1-3H;/q-1;+1
InChIKeyIDWIKDMIXJTBJV-UHFFFAOYSA-N
MW252.90 g/mol
LogP0.05
Rot. Bonds1

About potassium (2,3-dichlorophenyl)-trifluoroboranuide

potassium (2,3-dichlorophenyl)-trifluoroboranuide (PubChem CID 63676783) has the molecular formula C6H3BCl2F3K and a molecular weight of 252.90 g/mol. Its IUPAC name is potassium (2,3-dichlorophenyl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (2,3-dichlorophenyl)-trifluoroboranuide
PubChem CID63676783
Molecular FormulaC6H3BCl2F3K
Molecular Weight252.90 g/mol
Exact Mass251.93
IUPAC Namepotassium (2,3-dichlorophenyl)-trifluoroboranuide
SMILESF[B-](F)(F)c1cccc(Cl)c1Cl.[K+]
InChIInChI=1S/C6H3BCl2F3.K/c8-5-3-1-2-4(6(5)9)7(10,11)12;/h1-3H;/q-1;+1
InChIKeyIDWIKDMIXJTBJV-UHFFFAOYSA-N
XLogP0.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.90
LogP ≤ 50.05
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 (2,3-dichlorophenyl)-trifluoroboranuide?
The IUPAC name of potassium (2,3-dichlorophenyl)-trifluoroboranuide (CID 63676783) is potassium (2,3-dichlorophenyl)-trifluoroboranuide.
What is the SMILES notation for potassium (2,3-dichlorophenyl)-trifluoroboranuide?
The canonical SMILES for potassium (2,3-dichlorophenyl)-trifluoroboranuide is F[B-](F)(F)c1cccc(Cl)c1Cl.[K+].
What is the InChIKey of potassium (2,3-dichlorophenyl)-trifluoroboranuide?
The InChIKey is IDWIKDMIXJTBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BCl2F3.K/c8-5-3-1-2-4(6(5)9)7(10,11)12;/h1-3H;/q-1;+1.
What are the key properties of potassium (2,3-dichlorophenyl)-trifluoroboranuide?
potassium (2,3-dichlorophenyl)-trifluoroboranuide has a molecular weight of 252.90 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2,3-dichlorophenyl)-trifluoroboranuide is sourced from PubChem (CID 63676783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).