zinc;dihydrogen phosphate;fluoride

H2FO4PZn — CID 160735585

IUPACzinc;dihydrogen phosphate;fluoride
SMILESO=P([O-])(O)O.[F-].[Zn+2]
InChIInChI=1S/FH.H3O4P.Zn/c;1-5(2,3)4;/h1H;(H3,1,2,3,4);/q;;+2/p-2
InChIKeyRUXCWHQDIMWELV-UHFFFAOYSA-L
MW181.37 g/mol
LogP-4.56
Rot. Bonds

About zinc;dihydrogen phosphate;fluoride

zinc;dihydrogen phosphate;fluoride (PubChem CID 160735585) has the molecular formula H2FO4PZn and a molecular weight of 181.37 g/mol. Its IUPAC name is zinc;dihydrogen phosphate;fluoride.

Molecular Properties

Compound Namezinc;dihydrogen phosphate;fluoride
PubChem CID160735585
Molecular FormulaH2FO4PZn
Molecular Weight181.37 g/mol
Exact Mass179.90
IUPAC Namezinc;dihydrogen phosphate;fluoride
SMILESO=P([O-])(O)O.[F-].[Zn+2]
InChIInChI=1S/FH.H3O4P.Zn/c;1-5(2,3)4;/h1H;(H3,1,2,3,4);/q;;+2/p-2
InChIKeyRUXCWHQDIMWELV-UHFFFAOYSA-L
XLogP-4.56
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.37
LogP ≤ 5-4.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dizinc;tetrakis(dihydrogen phosphate)
CID 161370337
zinc bis(dihydrogen phosphate)
CID 11253952
disodium;dihydrogen phosphate;fluoride
CID 159057923
azanium;zinc;dihydrogen phosphate;oxygen(2-)
CID 160778942
tetrakis(dihydrogen phosphate);zirconium(4+)
CID 22328152
tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))
CID 139063709
hexakis(dihydrogen phosphate);molybdenum
CID 18504359
sodium dihydroxy(32P)phosphinate
CID 23694678
dipotassium;bis(dihydrogen phosphate);phosphoric acid
CID 19756002
lithium;dihydrogen phosphate;dihydrate
CID 162740177
tris(dihydrogen phosphate);oxygen(2-);vanadium
CID 53241738
potassium;dihydrogen phosphate;hexahydrofluoride
CID 172717115

Frequently Asked Questions

What is the IUPAC name of zinc;dihydrogen phosphate;fluoride?
The IUPAC name of zinc;dihydrogen phosphate;fluoride (CID 160735585) is zinc;dihydrogen phosphate;fluoride.
What is the SMILES notation for zinc;dihydrogen phosphate;fluoride?
The canonical SMILES for zinc;dihydrogen phosphate;fluoride is O=P([O-])(O)O.[F-].[Zn+2].
What is the InChIKey of zinc;dihydrogen phosphate;fluoride?
The InChIKey is RUXCWHQDIMWELV-UHFFFAOYSA-L. The full InChI is InChI=1S/FH.H3O4P.Zn/c;1-5(2,3)4;/h1H;(H3,1,2,3,4);/q;;+2/p-2.
What are the key properties of zinc;dihydrogen phosphate;fluoride?
zinc;dihydrogen phosphate;fluoride has a molecular weight of 181.37 g/mol, XLogP of -4.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;dihydrogen phosphate;fluoride is sourced from PubChem (CID 160735585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).