phenyl-(2,2,2-trifluoroacetyl)oxymercury

C8H5F3HgO2 — CID 16683863

IUPACphenyl-(2,2,2-trifluoroacetyl)oxymercury
SMILESO=C(O[Hg]c1ccccc1)C(F)(F)F
InChIInChI=1S/C6H5.C2HF3O2.Hg/c1-2-4-6-5-3-1;3-2(4,5)1(6)7;/h1-5H;(H,6,7);/q;;+1/p-1
InChIKeyPWRLDTRLQLPOQU-UHFFFAOYSA-M
MW390.71 g/mol
LogP1.41
Rot. Bonds2

About phenyl-(2,2,2-trifluoroacetyl)oxymercury

phenyl-(2,2,2-trifluoroacetyl)oxymercury (PubChem CID 16683863) has the molecular formula C8H5F3HgO2 and a molecular weight of 390.71 g/mol. Its IUPAC name is phenyl-(2,2,2-trifluoroacetyl)oxymercury.

Molecular Properties

Compound Namephenyl-(2,2,2-trifluoroacetyl)oxymercury
PubChem CID16683863
Molecular FormulaC8H5F3HgO2
Molecular Weight390.71 g/mol
Exact Mass391.99
IUPAC Namephenyl-(2,2,2-trifluoroacetyl)oxymercury
SMILESO=C(O[Hg]c1ccccc1)C(F)(F)F
InChIInChI=1S/C6H5.C2HF3O2.Hg/c1-2-4-6-5-3-1;3-2(4,5)1(6)7;/h1-5H;(H,6,7);/q;;+1/p-1
InChIKeyPWRLDTRLQLPOQU-UHFFFAOYSA-M
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.71
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2,2,2-trifluoroacetyl)oxymercury?
The IUPAC name of phenyl-(2,2,2-trifluoroacetyl)oxymercury (CID 16683863) is phenyl-(2,2,2-trifluoroacetyl)oxymercury.
What is the SMILES notation for phenyl-(2,2,2-trifluoroacetyl)oxymercury?
The canonical SMILES for phenyl-(2,2,2-trifluoroacetyl)oxymercury is O=C(O[Hg]c1ccccc1)C(F)(F)F.
What is the InChIKey of phenyl-(2,2,2-trifluoroacetyl)oxymercury?
The InChIKey is PWRLDTRLQLPOQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5.C2HF3O2.Hg/c1-2-4-6-5-3-1;3-2(4,5)1(6)7;/h1-5H;(H,6,7);/q;;+1/p-1.
What are the key properties of phenyl-(2,2,2-trifluoroacetyl)oxymercury?
phenyl-(2,2,2-trifluoroacetyl)oxymercury has a molecular weight of 390.71 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,2,2-trifluoroacetyl)oxymercury is sourced from PubChem (CID 16683863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).