potassium trifluoro(isoquinolin-4-yl)boranuide

C9H6BF3KN — CID 23696963

IUPACpotassium trifluoro(isoquinolin-4-yl)boranuide
SMILESF[B-](F)(F)c1cncc2ccccc12.[K+]
InChIInChI=1S/C9H6BF3N.K/c11-10(12,13)9-6-14-5-7-3-1-2-4-8(7)9;/h1-6H;/q-1;+1
InChIKeyQEIOJGBGINOBGG-UHFFFAOYSA-N
MW235.06 g/mol
LogP-0.71
Rot. Bonds1

About potassium trifluoro(isoquinolin-4-yl)boranuide

potassium trifluoro(isoquinolin-4-yl)boranuide (PubChem CID 23696963) has the molecular formula C9H6BF3KN and a molecular weight of 235.06 g/mol. Its IUPAC name is potassium trifluoro(isoquinolin-4-yl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(isoquinolin-4-yl)boranuide
PubChem CID23696963
Molecular FormulaC9H6BF3KN
Molecular Weight235.06 g/mol
Exact Mass235.02
IUPAC Namepotassium trifluoro(isoquinolin-4-yl)boranuide
SMILESF[B-](F)(F)c1cncc2ccccc12.[K+]
InChIInChI=1S/C9H6BF3N.K/c11-10(12,13)9-6-14-5-7-3-1-2-4-8(7)9;/h1-6H;/q-1;+1
InChIKeyQEIOJGBGINOBGG-UHFFFAOYSA-N
XLogP-0.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.06
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
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 trifluoro(isoquinolin-4-yl)boranuide?
The IUPAC name of potassium trifluoro(isoquinolin-4-yl)boranuide (CID 23696963) is potassium trifluoro(isoquinolin-4-yl)boranuide.
What is the SMILES notation for potassium trifluoro(isoquinolin-4-yl)boranuide?
The canonical SMILES for potassium trifluoro(isoquinolin-4-yl)boranuide is F[B-](F)(F)c1cncc2ccccc12.[K+].
What is the InChIKey of potassium trifluoro(isoquinolin-4-yl)boranuide?
The InChIKey is QEIOJGBGINOBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BF3N.K/c11-10(12,13)9-6-14-5-7-3-1-2-4-8(7)9;/h1-6H;/q-1;+1.
What are the key properties of potassium trifluoro(isoquinolin-4-yl)boranuide?
potassium trifluoro(isoquinolin-4-yl)boranuide has a molecular weight of 235.06 g/mol, XLogP of -0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(isoquinolin-4-yl)boranuide is sourced from PubChem (CID 23696963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).