potassium 1-adamantyl(trifluoro)boranuide

C10H15BF3K — CID 134968754

IUPACpotassium 1-adamantyl(trifluoro)boranuide
SMILESF[B-](F)(F)C12CC3CC(CC(C3)C1)C2.[K+]
InChIInChI=1S/C10H15BF3.K/c12-11(13,14)10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6H2;/q-1;+1
InChIKeyDEFMSDYOOALBPK-UHFFFAOYSA-N
MW242.13 g/mol
LogP0.81
Rot. Bonds1

About potassium 1-adamantyl(trifluoro)boranuide

potassium 1-adamantyl(trifluoro)boranuide (PubChem CID 134968754) has the molecular formula C10H15BF3K and a molecular weight of 242.13 g/mol. Its IUPAC name is potassium 1-adamantyl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium 1-adamantyl(trifluoro)boranuide
PubChem CID134968754
Molecular FormulaC10H15BF3K
Molecular Weight242.13 g/mol
Exact Mass242.09
IUPAC Namepotassium 1-adamantyl(trifluoro)boranuide
SMILESF[B-](F)(F)C12CC3CC(CC(C3)C1)C2.[K+]
InChIInChI=1S/C10H15BF3.K/c12-11(13,14)10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6H2;/q-1;+1
InChIKeyDEFMSDYOOALBPK-UHFFFAOYSA-N
XLogP0.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 50.81
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 1-adamantyl(trifluoro)boranuide?
The IUPAC name of potassium 1-adamantyl(trifluoro)boranuide (CID 134968754) is potassium 1-adamantyl(trifluoro)boranuide.
What is the SMILES notation for potassium 1-adamantyl(trifluoro)boranuide?
The canonical SMILES for potassium 1-adamantyl(trifluoro)boranuide is F[B-](F)(F)C12CC3CC(CC(C3)C1)C2.[K+].
What is the InChIKey of potassium 1-adamantyl(trifluoro)boranuide?
The InChIKey is DEFMSDYOOALBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BF3.K/c12-11(13,14)10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6H2;/q-1;+1.
What are the key properties of potassium 1-adamantyl(trifluoro)boranuide?
potassium 1-adamantyl(trifluoro)boranuide has a molecular weight of 242.13 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-adamantyl(trifluoro)boranuide is sourced from PubChem (CID 134968754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).