trifluoromethylsulfonyloxy-[1-[2-(trifluoromethylsulfonyloxymercurio)naphthalen-1-yl]naphthalen-2-yl]mercury

C22H12F6Hg2O6S2 — CID 16689642

IUPACtrifluoromethylsulfonyloxy-[1-[2-(trifluoromethylsulfonyloxymercurio)naphthalen-1-yl]naphthalen-2-yl]mercury
SMILESO=S(=O)(O[Hg]c1ccc2ccccc2c1-c1c([Hg]OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F
InChIInChI=1S/C20H12.2CHF3O3S.2Hg/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;2*2-1(3,4)8(5,6)7;;/h1-12H;2*(H,5,6,7);;/q;;;2*+1/p-2
InChIKeyZWUPXQBAACYZJI-UHFFFAOYSA-L
MW951.63 g/mol
LogP4.64
Rot. Bonds7

About trifluoromethylsulfonyloxy-[1-[2-(trifluoromethylsulfonyloxymercurio)naphthalen-1-yl]naphthalen-2-yl]mercury

trifluoromethylsulfonyloxy-[1-[2-(trifluoromethylsulfonyloxymercurio)naphthalen-1-yl]naphthalen-2-yl]mercury (PubChem CID 16689642) has the molecular formula C22H12F6Hg2O6S2 and a molecular weight of 951.63 g/mol. Its IUPAC name is trifluoromethylsulfonyloxy-[1-[2-(trifluoromethylsulfonyloxymercurio)naphthalen-1-yl]naphthalen-2-yl]mercury.

Molecular Properties

Compound Nametrifluoromethylsulfonyloxy-[1-[2-(trifluoromethylsulfonyloxymercurio)naphthalen-1-yl]naphthalen-2-yl]mercury
PubChem CID16689642
Molecular FormulaC22H12F6Hg2O6S2
Molecular Weight951.63 g/mol
Exact Mass953.94
IUPAC Nametrifluoromethylsulfonyloxy-[1-[2-(trifluoromethylsulfonyloxymercurio)naphthalen-1-yl]naphthalen-2-yl]mercury
SMILESO=S(=O)(O[Hg]c1ccc2ccccc2c1-c1c([Hg]OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F
InChIInChI=1S/C20H12.2CHF3O3S.2Hg/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;2*2-1(3,4)8(5,6)7;;/h1-12H;2*(H,5,6,7);;/q;;;2*+1/p-2
InChIKeyZWUPXQBAACYZJI-UHFFFAOYSA-L
XLogP4.64
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500951.63
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(1,1,2,2,2-pentafluoroethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] 1,1,2,2,2-pentafluoroethanesulfonate
CID 11215928
(1-phenanthren-9-ylnaphthalen-2-yl) trifluoromethanesulfonate
CID 132538036
(2-nitronaphthalen-1-yl) trifluoromethanesulfonate
CID 87601886
(6-anthracen-9-ylnaphthalen-2-yl) trifluoromethanesulfonate
CID 142743975
[(E)-benzo[e][1]benzofuran-1-ylideneamino] trifluoromethanesulfonate
CID 172959972
(1-pyren-1-ylnaphthalen-2-yl) trifluoromethanesulfonate
CID 132538037
[3,5-dimethyl-2-(2-methylnaphthalen-1-yl)phenyl] trifluoromethanesulfonate
CID 23243239
[(Z)-benzo[e][1]benzothiol-1-ylideneamino] trifluoromethanesulfonate
CID 87945255
[1-(2-sulfooxynaphthalen-1-yl)naphthalen-2-yl] hydrogen sulfate
CID 67157811
(naphthalene-1-carbonylamino) trifluoromethanesulfonate
CID 87389546
13-methyl-12,14-bis(trifluoromethylsulfonyl)-12,14-diaza-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 16689015
azane;1-naphthalen-1-ylethyl trifluoromethanesulfonate
CID 174992561

Frequently Asked Questions

What is the IUPAC name of trifluoromethylsulfonyloxy-[1-[2-(trifluoromethylsulfonyloxymercurio)naphthalen-1-yl]naphthalen-2-yl]mercury?
The IUPAC name of trifluoromethylsulfonyloxy-[1-[2-(trifluoromethylsulfonyloxymercurio)naphthalen-1-yl]naphthalen-2-yl]mercury (CID 16689642) is trifluoromethylsulfonyloxy-[1-[2-(trifluoromethylsulfonyloxymercurio)naphthalen-1-yl]naphthalen-2-yl]mercury.
What is the SMILES notation for trifluoromethylsulfonyloxy-[1-[2-(trifluoromethylsulfonyloxymercurio)naphthalen-1-yl]naphthalen-2-yl]mercury?
The canonical SMILES for trifluoromethylsulfonyloxy-[1-[2-(trifluoromethylsulfonyloxymercurio)naphthalen-1-yl]naphthalen-2-yl]mercury is O=S(=O)(O[Hg]c1ccc2ccccc2c1-c1c([Hg]OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F.
What is the InChIKey of trifluoromethylsulfonyloxy-[1-[2-(trifluoromethylsulfonyloxymercurio)naphthalen-1-yl]naphthalen-2-yl]mercury?
The InChIKey is ZWUPXQBAACYZJI-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H12.2CHF3O3S.2Hg/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;2*2-1(3,4)8(5,6)7;;/h1-12H;2*(H,5,6,7);;/q;;;2*+1/p-2.
What are the key properties of trifluoromethylsulfonyloxy-[1-[2-(trifluoromethylsulfonyloxymercurio)naphthalen-1-yl]naphthalen-2-yl]mercury?
trifluoromethylsulfonyloxy-[1-[2-(trifluoromethylsulfonyloxymercurio)naphthalen-1-yl]naphthalen-2-yl]mercury has a molecular weight of 951.63 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylsulfonyloxy-[1-[2-(trifluoromethylsulfonyloxymercurio)naphthalen-1-yl]naphthalen-2-yl]mercury is sourced from PubChem (CID 16689642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).