tert-butyl trifluoromethanesulfonate;copper

C5H9CuF3O3S — CID 175096484

IUPACtert-butyl trifluoromethanesulfonate;copper
SMILESCC(C)(C)OS(=O)(=O)C(F)(F)F.[Cu]
InChIInChI=1S/C5H9F3O3S.Cu/c1-4(2,3)11-12(9,10)5(6,7)8;/h1-3H3;
InChIKeyBRVVLKCNSQPXDH-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.65
Rot. Bonds1

About tert-butyl trifluoromethanesulfonate;copper

tert-butyl trifluoromethanesulfonate;copper (PubChem CID 175096484) has the molecular formula C5H9CuF3O3S and a molecular weight of 269.73 g/mol. Its IUPAC name is tert-butyl trifluoromethanesulfonate;copper.

Molecular Properties

Compound Nametert-butyl trifluoromethanesulfonate;copper
PubChem CID175096484
Molecular FormulaC5H9CuF3O3S
Molecular Weight269.73 g/mol
Exact Mass268.95
IUPAC Nametert-butyl trifluoromethanesulfonate;copper
SMILESCC(C)(C)OS(=O)(=O)C(F)(F)F.[Cu]
InChIInChI=1S/C5H9F3O3S.Cu/c1-4(2,3)11-12(9,10)5(6,7)8;/h1-3H3;
InChIKeyBRVVLKCNSQPXDH-UHFFFAOYSA-N
XLogP1.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.65
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'}

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Related Compounds

(1,3-difluoro-2-methylpropan-2-yl) trifluoromethanesulfonate
CID 86615366
copper;methyl trifluoromethanesulfonate
CID 174775711
2-(trifluoromethylsulfonyloxy)propan-2-ylphosphonic acid
CID 19427720
(1-cyclopentyl-1-fluoroethyl) trifluoromethanesulfonate
CID 87647961
[chloro-bis(dimethylamino)methyl] trifluoromethanesulfonate
CID 140514864
methyl trifluoromethanesulfonate;silver
CID 174859792
2-(4-methylphenyl)propan-2-yl trifluoromethanesulfonate
CID 101386721
CID 15111591
CID 15111591
trifluoromethyl 1,1-difluoroethanesulfonate
CID 174493572
methoxy trifluoromethanesulfonate
CID 87224753
(2-methyl-1-phenylpropan-2-yl) trifluoromethanesulfonate
CID 87373674
(2,3-difluoro-2,3-dimethylbutyl) trifluoromethanesulfonate
CID 139022830

Frequently Asked Questions

What is the IUPAC name of tert-butyl trifluoromethanesulfonate;copper?
The IUPAC name of tert-butyl trifluoromethanesulfonate;copper (CID 175096484) is tert-butyl trifluoromethanesulfonate;copper.
What is the SMILES notation for tert-butyl trifluoromethanesulfonate;copper?
The canonical SMILES for tert-butyl trifluoromethanesulfonate;copper is CC(C)(C)OS(=O)(=O)C(F)(F)F.[Cu].
What is the InChIKey of tert-butyl trifluoromethanesulfonate;copper?
The InChIKey is BRVVLKCNSQPXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O3S.Cu/c1-4(2,3)11-12(9,10)5(6,7)8;/h1-3H3;.
What are the key properties of tert-butyl trifluoromethanesulfonate;copper?
tert-butyl trifluoromethanesulfonate;copper has a molecular weight of 269.73 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl trifluoromethanesulfonate;copper is sourced from PubChem (CID 175096484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).