benzene;copper(1+);trifluoromethanesulfonate

C7H6CuF3O3S — CID 11392160

IUPACbenzene;copper(1+);trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.[Cu+].c1ccccc1
InChIInChI=1S/C6H6.CHF3O3S.Cu/c1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;/h1-6H;(H,5,6,7);/q;;+1/p-1
InChIKeyBYBIRLURVZSVME-UHFFFAOYSA-M
MW290.73 g/mol
LogP1.74
Rot. Bonds

About benzene;copper(1+);trifluoromethanesulfonate

benzene;copper(1+);trifluoromethanesulfonate (PubChem CID 11392160) has the molecular formula C7H6CuF3O3S and a molecular weight of 290.73 g/mol. Its IUPAC name is benzene;copper(1+);trifluoromethanesulfonate.

Molecular Properties

Compound Namebenzene;copper(1+);trifluoromethanesulfonate
PubChem CID11392160
Molecular FormulaC7H6CuF3O3S
Molecular Weight290.73 g/mol
Exact Mass289.93
IUPAC Namebenzene;copper(1+);trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.[Cu+].c1ccccc1
InChIInChI=1S/C6H6.CHF3O3S.Cu/c1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;/h1-6H;(H,5,6,7);/q;;+1/p-1
InChIKeyBYBIRLURVZSVME-UHFFFAOYSA-M
XLogP1.74
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;copper(1+);trifluoromethanesulfonate?
The IUPAC name of benzene;copper(1+);trifluoromethanesulfonate (CID 11392160) is benzene;copper(1+);trifluoromethanesulfonate.
What is the SMILES notation for benzene;copper(1+);trifluoromethanesulfonate?
The canonical SMILES for benzene;copper(1+);trifluoromethanesulfonate is O=S(=O)([O-])C(F)(F)F.[Cu+].c1ccccc1.
What is the InChIKey of benzene;copper(1+);trifluoromethanesulfonate?
The InChIKey is BYBIRLURVZSVME-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6.CHF3O3S.Cu/c1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;/h1-6H;(H,5,6,7);/q;;+1/p-1.
What are the key properties of benzene;copper(1+);trifluoromethanesulfonate?
benzene;copper(1+);trifluoromethanesulfonate has a molecular weight of 290.73 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;copper(1+);trifluoromethanesulfonate is sourced from PubChem (CID 11392160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).