bis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate

C12H4F8HgO3 — CID 71412975

IUPACbis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate
SMILESO.Oc1c(F)c(F)c([Hg]c2c(F)c(F)c(O)c(F)c2F)c(F)c1F
InChIInChI=1S/2C6HF4O.Hg.H2O/c2*7-2-1-3(8)5(10)6(11)4(2)9;;/h2*11H;;1H2
InChIKeyHRGOKDYZNYNRNX-UHFFFAOYSA-N
MW548.74 g/mol
LogP1.42
Rot. Bonds2

About bis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate

bis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate (PubChem CID 71412975) has the molecular formula C12H4F8HgO3 and a molecular weight of 548.74 g/mol. Its IUPAC name is bis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate.

Molecular Properties

Compound Namebis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate
PubChem CID71412975
Molecular FormulaC12H4F8HgO3
Molecular Weight548.74 g/mol
Exact Mass549.97
IUPAC Namebis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate
SMILESO.Oc1c(F)c(F)c([Hg]c2c(F)c(F)c(O)c(F)c2F)c(F)c1F
InChIInChI=1S/2C6HF4O.Hg.H2O/c2*7-2-1-3(8)5(10)6(11)4(2)9;;/h2*11H;;1H2
InChIKeyHRGOKDYZNYNRNX-UHFFFAOYSA-N
XLogP1.42
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.74
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate?
The IUPAC name of bis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate (CID 71412975) is bis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate.
What is the SMILES notation for bis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate?
The canonical SMILES for bis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate is O.Oc1c(F)c(F)c([Hg]c2c(F)c(F)c(O)c(F)c2F)c(F)c1F.
What is the InChIKey of bis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate?
The InChIKey is HRGOKDYZNYNRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6HF4O.Hg.H2O/c2*7-2-1-3(8)5(10)6(11)4(2)9;;/h2*11H;;1H2.
What are the key properties of bis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate?
bis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate has a molecular weight of 548.74 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,5,6-tetrafluoro-4-hydroxyphenyl)mercury;hydrate is sourced from PubChem (CID 71412975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).