sulfonylcopper;trifluoromethane

CCuF3O2S- — CID 174888405

IUPACsulfonylcopper;trifluoromethane
SMILESF[C-](F)F.O=S(=O)=[Cu]
InChIInChI=1S/CF3.Cu.O2S/c2-1(3)4;;1-3-2/q-1;;
InChIKeyFDTCYWYFUWUBOA-UHFFFAOYSA-N
MW196.62 g/mol
LogP0.67
Rot. Bonds

About sulfonylcopper;trifluoromethane

sulfonylcopper;trifluoromethane (PubChem CID 174888405) has the molecular formula CCuF3O2S- and a molecular weight of 196.62 g/mol. Its IUPAC name is sulfonylcopper;trifluoromethane.

Molecular Properties

Compound Namesulfonylcopper;trifluoromethane
PubChem CID174888405
Molecular FormulaCCuF3O2S-
Molecular Weight196.62 g/mol
Exact Mass195.89
IUPAC Namesulfonylcopper;trifluoromethane
SMILESF[C-](F)F.O=S(=O)=[Cu]
InChIInChI=1S/CF3.Cu.O2S/c2-1(3)4;;1-3-2/q-1;;
InChIKeyFDTCYWYFUWUBOA-UHFFFAOYSA-N
XLogP0.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.62
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sulfonylcopper;trifluoromethane?
The IUPAC name of sulfonylcopper;trifluoromethane (CID 174888405) is sulfonylcopper;trifluoromethane.
What is the SMILES notation for sulfonylcopper;trifluoromethane?
The canonical SMILES for sulfonylcopper;trifluoromethane is F[C-](F)F.O=S(=O)=[Cu].
What is the InChIKey of sulfonylcopper;trifluoromethane?
The InChIKey is FDTCYWYFUWUBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/CF3.Cu.O2S/c2-1(3)4;;1-3-2/q-1;;.
What are the key properties of sulfonylcopper;trifluoromethane?
sulfonylcopper;trifluoromethane has a molecular weight of 196.62 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfonylcopper;trifluoromethane is sourced from PubChem (CID 174888405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).