potassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide

C8H15BF3KSi — CID 139593274

IUPACpotassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide
SMILESCC(C)(C)[Si](C)(C)C#C[B-](F)(F)F.[K+]
InChIInChI=1S/C8H15BF3Si.K/c1-8(2,3)13(4,5)7-6-9(10,11)12;/h1-5H3;/q-1;+1
InChIKeyUXQHBCPYQCLXMY-UHFFFAOYSA-N
MW246.20 g/mol
LogP0.43
Rot. Bonds

About potassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide

potassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide (PubChem CID 139593274) has the molecular formula C8H15BF3KSi and a molecular weight of 246.20 g/mol. Its IUPAC name is potassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide
PubChem CID139593274
Molecular FormulaC8H15BF3KSi
Molecular Weight246.20 g/mol
Exact Mass246.06
IUPAC Namepotassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide
SMILESCC(C)(C)[Si](C)(C)C#C[B-](F)(F)F.[K+]
InChIInChI=1S/C8H15BF3Si.K/c1-8(2,3)13(4,5)7-6-9(10,11)12;/h1-5H3;/q-1;+1
InChIKeyUXQHBCPYQCLXMY-UHFFFAOYSA-N
XLogP0.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze potassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide?
The IUPAC name of potassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide (CID 139593274) is potassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide.
What is the SMILES notation for potassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide?
The canonical SMILES for potassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide is CC(C)(C)[Si](C)(C)C#C[B-](F)(F)F.[K+].
What is the InChIKey of potassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide?
The InChIKey is UXQHBCPYQCLXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BF3Si.K/c1-8(2,3)13(4,5)7-6-9(10,11)12;/h1-5H3;/q-1;+1.
What are the key properties of potassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide?
potassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide has a molecular weight of 246.20 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[tert-butyl(dimethyl)silyl]ethynyl-trifluoroboranuide is sourced from PubChem (CID 139593274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).