potassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide

C6H3BF6KN — CID 102707180

IUPACpotassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide
SMILESF[B-](F)(F)c1cnccc1C(F)(F)F.[K+]
InChIInChI=1S/C6H3BF6N.K/c8-6(9,10)4-1-2-14-3-5(4)7(11,12)13;/h1-3H;/q-1;+1
InChIKeyJMLOIJLPTYFUSH-UHFFFAOYSA-N
MW253.00 g/mol
LogP-0.84
Rot. Bonds1

About potassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide

potassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide (PubChem CID 102707180) has the molecular formula C6H3BF6KN and a molecular weight of 253.00 g/mol. Its IUPAC name is potassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide
PubChem CID102707180
Molecular FormulaC6H3BF6KN
Molecular Weight253.00 g/mol
Exact Mass252.99
IUPAC Namepotassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide
SMILESF[B-](F)(F)c1cnccc1C(F)(F)F.[K+]
InChIInChI=1S/C6H3BF6N.K/c8-6(9,10)4-1-2-14-3-5(4)7(11,12)13;/h1-3H;/q-1;+1
InChIKeyJMLOIJLPTYFUSH-UHFFFAOYSA-N
XLogP-0.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.00
LogP ≤ 5-0.84
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-[4-(trifluoromethyl)-3-pyridinyl]boranuide?
The IUPAC name of potassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide (CID 102707180) is potassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide is F[B-](F)(F)c1cnccc1C(F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide?
The InChIKey is JMLOIJLPTYFUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BF6N.K/c8-6(9,10)4-1-2-14-3-5(4)7(11,12)13;/h1-3H;/q-1;+1.
What are the key properties of potassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide?
potassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide has a molecular weight of 253.00 g/mol, XLogP of -0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide is sourced from PubChem (CID 102707180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).