magnesium;hydride;2,3,4,5,6-pentafluorobenzenesulfonic acid

C6H3F5MgO3S — CID 174554834

IUPACmagnesium;hydride;2,3,4,5,6-pentafluorobenzenesulfonic acid
SMILESO=S(=O)(O)c1c(F)c(F)c(F)c(F)c1F.[H-].[H-].[Mg+2]
InChIInChI=1S/C6HF5O3S.Mg.2H/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;;;/h(H,12,13,14);;;/q;+2;2*-1
InChIKeyJGFAVLSVRXIRDC-UHFFFAOYSA-N
MW274.45 g/mol
LogP1.47
Rot. Bonds1

About magnesium;hydride;2,3,4,5,6-pentafluorobenzenesulfonic acid

magnesium;hydride;2,3,4,5,6-pentafluorobenzenesulfonic acid (PubChem CID 174554834) has the molecular formula C6H3F5MgO3S and a molecular weight of 274.45 g/mol. Its IUPAC name is magnesium;hydride;2,3,4,5,6-pentafluorobenzenesulfonic acid.

Molecular Properties

Compound Namemagnesium;hydride;2,3,4,5,6-pentafluorobenzenesulfonic acid
PubChem CID174554834
Molecular FormulaC6H3F5MgO3S
Molecular Weight274.45 g/mol
Exact Mass273.96
IUPAC Namemagnesium;hydride;2,3,4,5,6-pentafluorobenzenesulfonic acid
SMILESO=S(=O)(O)c1c(F)c(F)c(F)c(F)c1F.[H-].[H-].[Mg+2]
InChIInChI=1S/C6HF5O3S.Mg.2H/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;;;/h(H,12,13,14);;;/q;+2;2*-1
InChIKeyJGFAVLSVRXIRDC-UHFFFAOYSA-N
XLogP1.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;2,3,4,5,6-pentafluorobenzenesulfonic acid?
The IUPAC name of magnesium;hydride;2,3,4,5,6-pentafluorobenzenesulfonic acid (CID 174554834) is magnesium;hydride;2,3,4,5,6-pentafluorobenzenesulfonic acid.
What is the SMILES notation for magnesium;hydride;2,3,4,5,6-pentafluorobenzenesulfonic acid?
The canonical SMILES for magnesium;hydride;2,3,4,5,6-pentafluorobenzenesulfonic acid is O=S(=O)(O)c1c(F)c(F)c(F)c(F)c1F.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;2,3,4,5,6-pentafluorobenzenesulfonic acid?
The InChIKey is JGFAVLSVRXIRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF5O3S.Mg.2H/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;;;/h(H,12,13,14);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;2,3,4,5,6-pentafluorobenzenesulfonic acid?
magnesium;hydride;2,3,4,5,6-pentafluorobenzenesulfonic acid has a molecular weight of 274.45 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;2,3,4,5,6-pentafluorobenzenesulfonic acid is sourced from PubChem (CID 174554834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).