disodium;dihydrogen phosphate;fluoride

H2FNa2O4P — CID 159057923

IUPACdisodium;dihydrogen phosphate;fluoride
SMILESO=P([O-])(O)O.[F-].[Na+].[Na+]
InChIInChI=1S/FH.2Na.H3O4P/c;;;1-5(2,3)4/h1H;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyJYCBGFBCMZBXSE-UHFFFAOYSA-L
MW161.96 g/mol
LogP-10.55
Rot. Bonds

About disodium;dihydrogen phosphate;fluoride

disodium;dihydrogen phosphate;fluoride (PubChem CID 159057923) has the molecular formula H2FNa2O4P and a molecular weight of 161.96 g/mol. Its IUPAC name is disodium;dihydrogen phosphate;fluoride.

Molecular Properties

Compound Namedisodium;dihydrogen phosphate;fluoride
PubChem CID159057923
Molecular FormulaH2FNa2O4P
Molecular Weight161.96 g/mol
Exact Mass161.95
IUPAC Namedisodium;dihydrogen phosphate;fluoride
SMILESO=P([O-])(O)O.[F-].[Na+].[Na+]
InChIInChI=1S/FH.2Na.H3O4P/c;;;1-5(2,3)4/h1H;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyJYCBGFBCMZBXSE-UHFFFAOYSA-L
XLogP-10.55
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.96
LogP ≤ 5-10.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate
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sodium;tris(dihydrogen phosphate);hydron;phosphoric acid
CID 173335984
dipotassium;sodium;bis(dihydrogen phosphate);chloride
CID 161050974
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Frequently Asked Questions

What is the IUPAC name of disodium;dihydrogen phosphate;fluoride?
The IUPAC name of disodium;dihydrogen phosphate;fluoride (CID 159057923) is disodium;dihydrogen phosphate;fluoride.
What is the SMILES notation for disodium;dihydrogen phosphate;fluoride?
The canonical SMILES for disodium;dihydrogen phosphate;fluoride is O=P([O-])(O)O.[F-].[Na+].[Na+].
What is the InChIKey of disodium;dihydrogen phosphate;fluoride?
The InChIKey is JYCBGFBCMZBXSE-UHFFFAOYSA-L. The full InChI is InChI=1S/FH.2Na.H3O4P/c;;;1-5(2,3)4/h1H;;;(H3,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of disodium;dihydrogen phosphate;fluoride?
disodium;dihydrogen phosphate;fluoride has a molecular weight of 161.96 g/mol, XLogP of -10.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;dihydrogen phosphate;fluoride is sourced from PubChem (CID 159057923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).