calcium;fluoroazanide;molecular fluorine;sulfane;tris(sulfur dioxide);dihydrate

H8CaF4N2O8S4 — CID 164886786

IUPACcalcium;fluoroazanide;molecular fluorine;sulfane;tris(sulfur dioxide);dihydrate
SMILESFF.O.O.O=S=O.O=S=O.O=S=O.S.[Ca+2].[NH-]F.[NH-]F
InChIInChI=1S/Ca.F2.2FHN.3O2S.2H2O.H2S/c;3*1-2;3*1-3-2;;;/h;;2*2H;;;;3*1H2/q+2;;2*-1;;;;;;
InChIKeyUAJHKCNHOJHWIU-UHFFFAOYSA-N
MW408.41 g/mol
LogP-1.24
Rot. Bonds

About calcium;fluoroazanide;molecular fluorine;sulfane;tris(sulfur dioxide);dihydrate

calcium;fluoroazanide;molecular fluorine;sulfane;tris(sulfur dioxide);dihydrate (PubChem CID 164886786) has the molecular formula H8CaF4N2O8S4 and a molecular weight of 408.41 g/mol. Its IUPAC name is calcium;fluoroazanide;molecular fluorine;sulfane;tris(sulfur dioxide);dihydrate.

Molecular Properties

Compound Namecalcium;fluoroazanide;molecular fluorine;sulfane;tris(sulfur dioxide);dihydrate
PubChem CID164886786
Molecular FormulaH8CaF4N2O8S4
Molecular Weight408.41 g/mol
Exact Mass407.87
IUPAC Namecalcium;fluoroazanide;molecular fluorine;sulfane;tris(sulfur dioxide);dihydrate
SMILESFF.O.O.O=S=O.O=S=O.O=S=O.S.[Ca+2].[NH-]F.[NH-]F
InChIInChI=1S/Ca.F2.2FHN.3O2S.2H2O.H2S/c;3*1-2;3*1-3-2;;;/h;;2*2H;;;;3*1H2/q+2;;2*-1;;;;;;
InChIKeyUAJHKCNHOJHWIU-UHFFFAOYSA-N
XLogP-1.24
TPSA213.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of calcium;fluoroazanide;molecular fluorine;sulfane;tris(sulfur dioxide);dihydrate?
The IUPAC name of calcium;fluoroazanide;molecular fluorine;sulfane;tris(sulfur dioxide);dihydrate (CID 164886786) is calcium;fluoroazanide;molecular fluorine;sulfane;tris(sulfur dioxide);dihydrate.
What is the SMILES notation for calcium;fluoroazanide;molecular fluorine;sulfane;tris(sulfur dioxide);dihydrate?
The canonical SMILES for calcium;fluoroazanide;molecular fluorine;sulfane;tris(sulfur dioxide);dihydrate is FF.O.O.O=S=O.O=S=O.O=S=O.S.[Ca+2].[NH-]F.[NH-]F.
What is the InChIKey of calcium;fluoroazanide;molecular fluorine;sulfane;tris(sulfur dioxide);dihydrate?
The InChIKey is UAJHKCNHOJHWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.F2.2FHN.3O2S.2H2O.H2S/c;3*1-2;3*1-3-2;;;/h;;2*2H;;;;3*1H2/q+2;;2*-1;;;;;;.
What are the key properties of calcium;fluoroazanide;molecular fluorine;sulfane;tris(sulfur dioxide);dihydrate?
calcium;fluoroazanide;molecular fluorine;sulfane;tris(sulfur dioxide);dihydrate has a molecular weight of 408.41 g/mol, XLogP of -1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;fluoroazanide;molecular fluorine;sulfane;tris(sulfur dioxide);dihydrate is sourced from PubChem (CID 164886786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).