potassium (2,6-difluorophenyl)-trifluoroboranuide

C6H3BF5K — CID 23677741

IUPACpotassium (2,6-difluorophenyl)-trifluoroboranuide
SMILESFc1cccc(F)c1[B-](F)(F)F.[K+]
InChIInChI=1S/C6H3BF5.K/c8-4-2-1-3-5(9)6(4)7(10,11)12;/h1-3H;/q-1;+1
InChIKeyXUCOCDVVPJFGSH-UHFFFAOYSA-N
MW219.99 g/mol
LogP-0.98
Rot. Bonds1

About potassium (2,6-difluorophenyl)-trifluoroboranuide

potassium (2,6-difluorophenyl)-trifluoroboranuide (PubChem CID 23677741) has the molecular formula C6H3BF5K and a molecular weight of 219.99 g/mol. Its IUPAC name is potassium (2,6-difluorophenyl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (2,6-difluorophenyl)-trifluoroboranuide
PubChem CID23677741
Molecular FormulaC6H3BF5K
Molecular Weight219.99 g/mol
Exact Mass219.99
IUPAC Namepotassium (2,6-difluorophenyl)-trifluoroboranuide
SMILESFc1cccc(F)c1[B-](F)(F)F.[K+]
InChIInChI=1S/C6H3BF5.K/c8-4-2-1-3-5(9)6(4)7(10,11)12;/h1-3H;/q-1;+1
InChIKeyXUCOCDVVPJFGSH-UHFFFAOYSA-N
XLogP-0.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.99
LogP ≤ 5-0.98
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 (2,6-difluorophenyl)-trifluoroboranuide?
The IUPAC name of potassium (2,6-difluorophenyl)-trifluoroboranuide (CID 23677741) is potassium (2,6-difluorophenyl)-trifluoroboranuide.
What is the SMILES notation for potassium (2,6-difluorophenyl)-trifluoroboranuide?
The canonical SMILES for potassium (2,6-difluorophenyl)-trifluoroboranuide is Fc1cccc(F)c1[B-](F)(F)F.[K+].
What is the InChIKey of potassium (2,6-difluorophenyl)-trifluoroboranuide?
The InChIKey is XUCOCDVVPJFGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BF5.K/c8-4-2-1-3-5(9)6(4)7(10,11)12;/h1-3H;/q-1;+1.
What are the key properties of potassium (2,6-difluorophenyl)-trifluoroboranuide?
potassium (2,6-difluorophenyl)-trifluoroboranuide has a molecular weight of 219.99 g/mol, XLogP of -0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2,6-difluorophenyl)-trifluoroboranuide is sourced from PubChem (CID 23677741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).