tris(fluoroaluminum(2+));diphosphate;hydrate

H2Al3F3O9P2 — CID 173406122

IUPACtris(fluoroaluminum(2+));diphosphate;hydrate
SMILESF[Al+2].F[Al+2].F[Al+2].O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-]
InChIInChI=1S/3Al.3FH.2H3O4P.H2O/c;;;;;;2*1-5(2,3)4;/h;;;3*1H;2*(H3,1,2,3,4);1H2/q3*+3;;;;;;/p-9
InChIKeyNESUIKPCHQIEIQ-UHFFFAOYSA-E
MW345.90 g/mol
LogP-6.36
Rot. Bonds

About tris(fluoroaluminum(2+));diphosphate;hydrate

tris(fluoroaluminum(2+));diphosphate;hydrate (PubChem CID 173406122) has the molecular formula H2Al3F3O9P2 and a molecular weight of 345.90 g/mol. Its IUPAC name is tris(fluoroaluminum(2+));diphosphate;hydrate.

Molecular Properties

Compound Nametris(fluoroaluminum(2+));diphosphate;hydrate
PubChem CID173406122
Molecular FormulaH2Al3F3O9P2
Molecular Weight345.90 g/mol
Exact Mass345.86
IUPAC Nametris(fluoroaluminum(2+));diphosphate;hydrate
SMILESF[Al+2].F[Al+2].F[Al+2].O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-]
InChIInChI=1S/3Al.3FH.2H3O4P.H2O/c;;;;;;2*1-5(2,3)4;/h;;;3*1H;2*(H3,1,2,3,4);1H2/q3*+3;;;;;;/p-9
InChIKeyNESUIKPCHQIEIQ-UHFFFAOYSA-E
XLogP-6.36
TPSA204.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 5-6.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(fluoroaluminum(2+));diphosphate;hydrate?
The IUPAC name of tris(fluoroaluminum(2+));diphosphate;hydrate (CID 173406122) is tris(fluoroaluminum(2+));diphosphate;hydrate.
What is the SMILES notation for tris(fluoroaluminum(2+));diphosphate;hydrate?
The canonical SMILES for tris(fluoroaluminum(2+));diphosphate;hydrate is F[Al+2].F[Al+2].F[Al+2].O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].
What is the InChIKey of tris(fluoroaluminum(2+));diphosphate;hydrate?
The InChIKey is NESUIKPCHQIEIQ-UHFFFAOYSA-E. The full InChI is InChI=1S/3Al.3FH.2H3O4P.H2O/c;;;;;;2*1-5(2,3)4;/h;;;3*1H;2*(H3,1,2,3,4);1H2/q3*+3;;;;;;/p-9.
What are the key properties of tris(fluoroaluminum(2+));diphosphate;hydrate?
tris(fluoroaluminum(2+));diphosphate;hydrate has a molecular weight of 345.90 g/mol, XLogP of -6.36, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(fluoroaluminum(2+));diphosphate;hydrate is sourced from PubChem (CID 173406122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).