potassium (2-cyclobutylphenyl)-trifluoroboranuide

C10H11BF3K — CID 114601035

IUPACpotassium (2-cyclobutylphenyl)-trifluoroboranuide
SMILESF[B-](F)(F)c1ccccc1C1CCC1.[K+]
InChIInChI=1S/C10H11BF3.K/c12-11(13,14)10-7-2-1-6-9(10)8-4-3-5-8;/h1-2,6-8H,3-5H2;/q-1;+1
InChIKeyRSPLWJPHWGPZQJ-UHFFFAOYSA-N
MW238.10 g/mol
LogP0.01
Rot. Bonds2

About potassium (2-cyclobutylphenyl)-trifluoroboranuide

potassium (2-cyclobutylphenyl)-trifluoroboranuide (PubChem CID 114601035) has the molecular formula C10H11BF3K and a molecular weight of 238.10 g/mol. Its IUPAC name is potassium (2-cyclobutylphenyl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (2-cyclobutylphenyl)-trifluoroboranuide
PubChem CID114601035
Molecular FormulaC10H11BF3K
Molecular Weight238.10 g/mol
Exact Mass238.05
IUPAC Namepotassium (2-cyclobutylphenyl)-trifluoroboranuide
SMILESF[B-](F)(F)c1ccccc1C1CCC1.[K+]
InChIInChI=1S/C10H11BF3.K/c12-11(13,14)10-7-2-1-6-9(10)8-4-3-5-8;/h1-2,6-8H,3-5H2;/q-1;+1
InChIKeyRSPLWJPHWGPZQJ-UHFFFAOYSA-N
XLogP0.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 50.01
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-cyclobutylphenyl)-trifluoroboranuide?
The IUPAC name of potassium (2-cyclobutylphenyl)-trifluoroboranuide (CID 114601035) is potassium (2-cyclobutylphenyl)-trifluoroboranuide.
What is the SMILES notation for potassium (2-cyclobutylphenyl)-trifluoroboranuide?
The canonical SMILES for potassium (2-cyclobutylphenyl)-trifluoroboranuide is F[B-](F)(F)c1ccccc1C1CCC1.[K+].
What is the InChIKey of potassium (2-cyclobutylphenyl)-trifluoroboranuide?
The InChIKey is RSPLWJPHWGPZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BF3.K/c12-11(13,14)10-7-2-1-6-9(10)8-4-3-5-8;/h1-2,6-8H,3-5H2;/q-1;+1.
What are the key properties of potassium (2-cyclobutylphenyl)-trifluoroboranuide?
potassium (2-cyclobutylphenyl)-trifluoroboranuide has a molecular weight of 238.10 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2-cyclobutylphenyl)-trifluoroboranuide is sourced from PubChem (CID 114601035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).