potassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide

C5H2BF5KN — CID 166000310

IUPACpotassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide
SMILESFc1cc(F)c([B-](F)(F)F)cn1.[K+]
InChIInChI=1S/C5H2BF5N.K/c7-4-1-5(8)12-2-3(4)6(9,10)11;/h1-2H;/q-1;+1
InChIKeyFEAKBBAGMGCNIC-UHFFFAOYSA-N
MW220.98 g/mol
LogP-1.58
Rot. Bonds1

About potassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide

potassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide (PubChem CID 166000310) has the molecular formula C5H2BF5KN and a molecular weight of 220.98 g/mol. Its IUPAC name is potassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide
PubChem CID166000310
Molecular FormulaC5H2BF5KN
Molecular Weight220.98 g/mol
Exact Mass220.98
IUPAC Namepotassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide
SMILESFc1cc(F)c([B-](F)(F)F)cn1.[K+]
InChIInChI=1S/C5H2BF5N.K/c7-4-1-5(8)12-2-3(4)6(9,10)11;/h1-2H;/q-1;+1
InChIKeyFEAKBBAGMGCNIC-UHFFFAOYSA-N
XLogP-1.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.98
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide?
The IUPAC name of potassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide (CID 166000310) is potassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide.
What is the SMILES notation for potassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide?
The canonical SMILES for potassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide is Fc1cc(F)c([B-](F)(F)F)cn1.[K+].
What is the InChIKey of potassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide?
The InChIKey is FEAKBBAGMGCNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BF5N.K/c7-4-1-5(8)12-2-3(4)6(9,10)11;/h1-2H;/q-1;+1.
What are the key properties of potassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide?
potassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide has a molecular weight of 220.98 g/mol, XLogP of -1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4,6-difluoro-3-pyridinyl)-trifluoroboranuide is sourced from PubChem (CID 166000310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).