mercury;3,4,5,6-tetrafluorophthalic acid

C8H2F4HgO4 — CID 87844638

IUPACmercury;3,4,5,6-tetrafluorophthalic acid
SMILESO=C(O)c1c(F)c(F)c(F)c(F)c1C(=O)O.[Hg]
InChIInChI=1S/C8H2F4O4.Hg/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;/h(H,13,14)(H,15,16);
InChIKeyQLWVGJZTRUTAEC-UHFFFAOYSA-N
MW438.68 g/mol
LogP1.64
Rot. Bonds2

About mercury;3,4,5,6-tetrafluorophthalic acid

mercury;3,4,5,6-tetrafluorophthalic acid (PubChem CID 87844638) has the molecular formula C8H2F4HgO4 and a molecular weight of 438.68 g/mol. Its IUPAC name is mercury;3,4,5,6-tetrafluorophthalic acid.

Molecular Properties

Compound Namemercury;3,4,5,6-tetrafluorophthalic acid
PubChem CID87844638
Molecular FormulaC8H2F4HgO4
Molecular Weight438.68 g/mol
Exact Mass439.96
IUPAC Namemercury;3,4,5,6-tetrafluorophthalic acid
SMILESO=C(O)c1c(F)c(F)c(F)c(F)c1C(=O)O.[Hg]
InChIInChI=1S/C8H2F4O4.Hg/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;/h(H,13,14)(H,15,16);
InChIKeyQLWVGJZTRUTAEC-UHFFFAOYSA-N
XLogP1.64
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.68
LogP ≤ 51.64
H-Bond Donors ≤ 52
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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of mercury;3,4,5,6-tetrafluorophthalic acid?
The IUPAC name of mercury;3,4,5,6-tetrafluorophthalic acid (CID 87844638) is mercury;3,4,5,6-tetrafluorophthalic acid.
What is the SMILES notation for mercury;3,4,5,6-tetrafluorophthalic acid?
The canonical SMILES for mercury;3,4,5,6-tetrafluorophthalic acid is O=C(O)c1c(F)c(F)c(F)c(F)c1C(=O)O.[Hg].
What is the InChIKey of mercury;3,4,5,6-tetrafluorophthalic acid?
The InChIKey is QLWVGJZTRUTAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F4O4.Hg/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;/h(H,13,14)(H,15,16);.
What are the key properties of mercury;3,4,5,6-tetrafluorophthalic acid?
mercury;3,4,5,6-tetrafluorophthalic acid has a molecular weight of 438.68 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for mercury;3,4,5,6-tetrafluorophthalic acid is sourced from PubChem (CID 87844638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).