copper;methyl trifluoromethanesulfonate

C2H3CuF3O3S — CID 174775711

IUPACcopper;methyl trifluoromethanesulfonate
SMILESCOS(=O)(=O)C(F)(F)F.[Cu]
InChIInChI=1S/C2H3F3O3S.Cu/c1-8-9(6,7)2(3,4)5;/h1H3;
InChIKeyYQPRSUCYKMLWBS-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.48
Rot. Bonds1

About copper;methyl trifluoromethanesulfonate

copper;methyl trifluoromethanesulfonate (PubChem CID 174775711) has the molecular formula C2H3CuF3O3S and a molecular weight of 227.65 g/mol. Its IUPAC name is copper;methyl trifluoromethanesulfonate.

Molecular Properties

Compound Namecopper;methyl trifluoromethanesulfonate
PubChem CID174775711
Molecular FormulaC2H3CuF3O3S
Molecular Weight227.65 g/mol
Exact Mass226.91
IUPAC Namecopper;methyl trifluoromethanesulfonate
SMILESCOS(=O)(=O)C(F)(F)F.[Cu]
InChIInChI=1S/C2H3F3O3S.Cu/c1-8-9(6,7)2(3,4)5;/h1H3;
InChIKeyYQPRSUCYKMLWBS-UHFFFAOYSA-N
XLogP0.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze copper;methyl trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl trifluoromethanesulfonate;silver
CID 174859792
methyl trifluoromethanesulfonate;trimethyloxidanium;hexafluorophosphate
CID 23466283
methyl trifluoromethanesulfonate;penta-1,3-diene;zirconium
CID 160569225
methoxy trifluoromethanesulfonate
CID 87224753
tert-butyl trifluoromethanesulfonate;copper
CID 175096484
amino(trioctyl)phosphanium;methyl trifluoromethanesulfonate
CID 174815242
methyl hydrogen sulfate;2,2,2-trifluoroacetic acid
CID 172730808
ethane;methyl trifluoromethanesulfonate;quinoline
CID 91453882
copper;methyl hydrogen sulfate
CID 175275891
dimethylgallanyl trifluoromethanesulfonate
CID 139745593
propan-2-yl trifluoromethanesulfonate
CID 10877967
(Trifluoromethanesulfonyloxy)dimethylsilane
CID 11828587

Frequently Asked Questions

What is the IUPAC name of copper;methyl trifluoromethanesulfonate?
The IUPAC name of copper;methyl trifluoromethanesulfonate (CID 174775711) is copper;methyl trifluoromethanesulfonate.
What is the SMILES notation for copper;methyl trifluoromethanesulfonate?
The canonical SMILES for copper;methyl trifluoromethanesulfonate is COS(=O)(=O)C(F)(F)F.[Cu].
What is the InChIKey of copper;methyl trifluoromethanesulfonate?
The InChIKey is YQPRSUCYKMLWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O3S.Cu/c1-8-9(6,7)2(3,4)5;/h1H3;.
What are the key properties of copper;methyl trifluoromethanesulfonate?
copper;methyl trifluoromethanesulfonate has a molecular weight of 227.65 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;methyl trifluoromethanesulfonate is sourced from PubChem (CID 174775711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).