dilithium;difluoroborinic acid;hydrogen phosphate

H2BF2Li2O5P — CID 175292339

IUPACdilithium;difluoroborinic acid;hydrogen phosphate
SMILESO=P([O-])([O-])O.OB(F)F.[Li+].[Li+]
InChIInChI=1S/BF2HO.2Li.H3O4P/c2-1(3)4;;;1-5(2,3)4/h4H;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyJZGLGKZQORGRET-UHFFFAOYSA-L
MW175.68 g/mol
LogP-8.28
Rot. Bonds

About dilithium;difluoroborinic acid;hydrogen phosphate

dilithium;difluoroborinic acid;hydrogen phosphate (PubChem CID 175292339) has the molecular formula H2BF2Li2O5P and a molecular weight of 175.68 g/mol. Its IUPAC name is dilithium;difluoroborinic acid;hydrogen phosphate.

Molecular Properties

Compound Namedilithium;difluoroborinic acid;hydrogen phosphate
PubChem CID175292339
Molecular FormulaH2BF2Li2O5P
Molecular Weight175.68 g/mol
Exact Mass176.00
IUPAC Namedilithium;difluoroborinic acid;hydrogen phosphate
SMILESO=P([O-])([O-])O.OB(F)F.[Li+].[Li+]
InChIInChI=1S/BF2HO.2Li.H3O4P/c2-1(3)4;;;1-5(2,3)4/h4H;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyJZGLGKZQORGRET-UHFFFAOYSA-L
XLogP-8.28
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 5-8.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dilithium;difluoroborinic acid;hydrogen phosphate?
The IUPAC name of dilithium;difluoroborinic acid;hydrogen phosphate (CID 175292339) is dilithium;difluoroborinic acid;hydrogen phosphate.
What is the SMILES notation for dilithium;difluoroborinic acid;hydrogen phosphate?
The canonical SMILES for dilithium;difluoroborinic acid;hydrogen phosphate is O=P([O-])([O-])O.OB(F)F.[Li+].[Li+].
What is the InChIKey of dilithium;difluoroborinic acid;hydrogen phosphate?
The InChIKey is JZGLGKZQORGRET-UHFFFAOYSA-L. The full InChI is InChI=1S/BF2HO.2Li.H3O4P/c2-1(3)4;;;1-5(2,3)4/h4H;;;(H3,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of dilithium;difluoroborinic acid;hydrogen phosphate?
dilithium;difluoroborinic acid;hydrogen phosphate has a molecular weight of 175.68 g/mol, XLogP of -8.28, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;difluoroborinic acid;hydrogen phosphate is sourced from PubChem (CID 175292339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).