difluorophosphorylperoxyboronic acid

H2BF2O5P — CID 175582327

IUPACdifluorophosphorylperoxyboronic acid
SMILESO=P(F)(F)OOB(O)O
InChIInChI=1S/BF2H2O5P/c2-9(3,6)8-7-1(4)5/h4-5H
InChIKeyJPSORNSSYOSIAU-UHFFFAOYSA-N
MW161.79 g/mol
LogP-0.05
Rot. Bonds3

About difluorophosphorylperoxyboronic acid

difluorophosphorylperoxyboronic acid (PubChem CID 175582327) has the molecular formula H2BF2O5P and a molecular weight of 161.79 g/mol. Its IUPAC name is difluorophosphorylperoxyboronic acid.

Molecular Properties

Compound Namedifluorophosphorylperoxyboronic acid
PubChem CID175582327
Molecular FormulaH2BF2O5P
Molecular Weight161.79 g/mol
Exact Mass161.97
IUPAC Namedifluorophosphorylperoxyboronic acid
SMILESO=P(F)(F)OOB(O)O
InChIInChI=1S/BF2H2O5P/c2-9(3,6)8-7-1(4)5/h4-5H
InChIKeyJPSORNSSYOSIAU-UHFFFAOYSA-N
XLogP-0.05
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.79
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

difluorophosphorylperoxy(fluoro)phosphinic acid
CID 175565069
carbonic acid;difluorophosphinic acid
CID 172772125
sodium;fluoro(hydroperoxy)phosphinate;vanadium
CID 175014270
difluorophosphoryl 2,2-dimethylpropanoate
CID 12690185
boric acid;carbonic acid;phosphoric acid
CID 160607615
4-difluorophosphoryloxybutan-1-ol
CID 178182563
alumane;fluorophosphonic acid
CID 173163644
dipotassium;borono phosphate
CID 139258522
fluorophosphonic acid;dihydroiodide
CID 172705626
fluorophosphonic acid;zinc
CID 173113621
bis(difluorophosphinic acid);hydrate
CID 56776517
copper;fluorophosphonic acid
CID 173104152

Frequently Asked Questions

What is the IUPAC name of difluorophosphorylperoxyboronic acid?
The IUPAC name of difluorophosphorylperoxyboronic acid (CID 175582327) is difluorophosphorylperoxyboronic acid.
What is the SMILES notation for difluorophosphorylperoxyboronic acid?
The canonical SMILES for difluorophosphorylperoxyboronic acid is O=P(F)(F)OOB(O)O.
What is the InChIKey of difluorophosphorylperoxyboronic acid?
The InChIKey is JPSORNSSYOSIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/BF2H2O5P/c2-9(3,6)8-7-1(4)5/h4-5H.
What are the key properties of difluorophosphorylperoxyboronic acid?
difluorophosphorylperoxyboronic acid has a molecular weight of 161.79 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for difluorophosphorylperoxyboronic acid is sourced from PubChem (CID 175582327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).