lithium;benzene;hydride;tritetrafluoroborate;dihydrofluoride

C6H9B3F14Li-3 — CID 173042088

IUPAClithium;benzene;hydride;tritetrafluoroborate;dihydrofluoride
SMILESF.F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[H-].[Li+].c1ccccc1
InChIInChI=1S/C6H6.3BF4.2FH.Li.H/c1-2-4-6-5-3-1;3*2-1(3,4)5;;;;/h1-6H;;;;2*1H;;/q;3*-1;;;+1;-1
InChIKeyDMABXGZLKZVELG-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.01
Rot. Bonds

About lithium;benzene;hydride;tritetrafluoroborate;dihydrofluoride

lithium;benzene;hydride;tritetrafluoroborate;dihydrofluoride (PubChem CID 173042088) has the molecular formula C6H9B3F14Li-3 and a molecular weight of 386.49 g/mol. Its IUPAC name is lithium;benzene;hydride;tritetrafluoroborate;dihydrofluoride.

Molecular Properties

Compound Namelithium;benzene;hydride;tritetrafluoroborate;dihydrofluoride
PubChem CID173042088
Molecular FormulaC6H9B3F14Li-3
Molecular Weight386.49 g/mol
Exact Mass387.09
IUPAC Namelithium;benzene;hydride;tritetrafluoroborate;dihydrofluoride
SMILESF.F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[H-].[Li+].c1ccccc1
InChIInChI=1S/C6H6.3BF4.2FH.Li.H/c1-2-4-6-5-3-1;3*2-1(3,4)5;;;;/h1-6H;;;;2*1H;;/q;3*-1;;;+1;-1
InChIKeyDMABXGZLKZVELG-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.01
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 lithium;benzene;hydride;tritetrafluoroborate;dihydrofluoride?
The IUPAC name of lithium;benzene;hydride;tritetrafluoroborate;dihydrofluoride (CID 173042088) is lithium;benzene;hydride;tritetrafluoroborate;dihydrofluoride.
What is the SMILES notation for lithium;benzene;hydride;tritetrafluoroborate;dihydrofluoride?
The canonical SMILES for lithium;benzene;hydride;tritetrafluoroborate;dihydrofluoride is F.F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[H-].[Li+].c1ccccc1.
What is the InChIKey of lithium;benzene;hydride;tritetrafluoroborate;dihydrofluoride?
The InChIKey is DMABXGZLKZVELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.3BF4.2FH.Li.H/c1-2-4-6-5-3-1;3*2-1(3,4)5;;;;/h1-6H;;;;2*1H;;/q;3*-1;;;+1;-1.
What are the key properties of lithium;benzene;hydride;tritetrafluoroborate;dihydrofluoride?
lithium;benzene;hydride;tritetrafluoroborate;dihydrofluoride has a molecular weight of 386.49 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;benzene;hydride;tritetrafluoroborate;dihydrofluoride is sourced from PubChem (CID 173042088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).