potassium;benzoic acid;tritetrafluoroborate

C7H5B3F12KO2-3 — CID 175035140

IUPACpotassium;benzoic acid;tritetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.O=C(O)c1cc[c-]cc1.[K+]
InChIInChI=1S/C7H5O2.3BF4.K/c8-7(9)6-4-2-1-3-5-6;3*2-1(3,4)5;/h2-5H,(H,8,9);;;;/q4*-1;+1
InChIKeyWWDMVUCKXQJSSN-UHFFFAOYSA-N
MW420.63 g/mol
LogP2.09
Rot. Bonds1

About potassium;benzoic acid;tritetrafluoroborate

potassium;benzoic acid;tritetrafluoroborate (PubChem CID 175035140) has the molecular formula C7H5B3F12KO2-3 and a molecular weight of 420.63 g/mol. Its IUPAC name is potassium;benzoic acid;tritetrafluoroborate.

Molecular Properties

Compound Namepotassium;benzoic acid;tritetrafluoroborate
PubChem CID175035140
Molecular FormulaC7H5B3F12KO2-3
Molecular Weight420.63 g/mol
Exact Mass421.00
IUPAC Namepotassium;benzoic acid;tritetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.O=C(O)c1cc[c-]cc1.[K+]
InChIInChI=1S/C7H5O2.3BF4.K/c8-7(9)6-4-2-1-3-5-6;3*2-1(3,4)5;/h2-5H,(H,8,9);;;;/q4*-1;+1
InChIKeyWWDMVUCKXQJSSN-UHFFFAOYSA-N
XLogP2.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.63
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;benzoic acid;tritetrafluoroborate?
The IUPAC name of potassium;benzoic acid;tritetrafluoroborate (CID 175035140) is potassium;benzoic acid;tritetrafluoroborate.
What is the SMILES notation for potassium;benzoic acid;tritetrafluoroborate?
The canonical SMILES for potassium;benzoic acid;tritetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.O=C(O)c1cc[c-]cc1.[K+].
What is the InChIKey of potassium;benzoic acid;tritetrafluoroborate?
The InChIKey is WWDMVUCKXQJSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5O2.3BF4.K/c8-7(9)6-4-2-1-3-5-6;3*2-1(3,4)5;/h2-5H,(H,8,9);;;;/q4*-1;+1.
What are the key properties of potassium;benzoic acid;tritetrafluoroborate?
potassium;benzoic acid;tritetrafluoroborate has a molecular weight of 420.63 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;benzoic acid;tritetrafluoroborate is sourced from PubChem (CID 175035140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).