potassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide

C6H4BF5KN — CID 166000320

IUPACpotassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide
SMILESFC(F)c1ncccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C6H4BF5N.K/c8-6(9)5-4(7(10,11)12)2-1-3-13-5;/h1-3,6H;/q-1;+1
InChIKeyYRPUZNKMOGOOGF-UHFFFAOYSA-N
MW235.01 g/mol
LogP-0.92
Rot. Bonds2

About potassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide

potassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide (PubChem CID 166000320) has the molecular formula C6H4BF5KN and a molecular weight of 235.01 g/mol. Its IUPAC name is potassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide
PubChem CID166000320
Molecular FormulaC6H4BF5KN
Molecular Weight235.01 g/mol
Exact Mass235.00
IUPAC Namepotassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide
SMILESFC(F)c1ncccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C6H4BF5N.K/c8-6(9)5-4(7(10,11)12)2-1-3-13-5;/h1-3,6H;/q-1;+1
InChIKeyYRPUZNKMOGOOGF-UHFFFAOYSA-N
XLogP-0.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.01
LogP ≤ 5-0.92
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 [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide?
The IUPAC name of potassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide (CID 166000320) is potassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide.
What is the SMILES notation for potassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide?
The canonical SMILES for potassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide is FC(F)c1ncccc1[B-](F)(F)F.[K+].
What is the InChIKey of potassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide?
The InChIKey is YRPUZNKMOGOOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BF5N.K/c8-6(9)5-4(7(10,11)12)2-1-3-13-5;/h1-3,6H;/q-1;+1.
What are the key properties of potassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide?
potassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide has a molecular weight of 235.01 g/mol, XLogP of -0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [2-(difluoromethyl)-3-pyridinyl]-trifluoroboranuide is sourced from PubChem (CID 166000320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).