dimethylalumanylium;trifluoromethanesulfonate

C3H6AlF3O3S — CID 16688558

IUPACdimethylalumanylium;trifluoromethanesulfonate
SMILESC[Al+]C.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/CHF3O3S.2CH3.Al/c2-1(3,4)8(5,6)7;;;/h(H,5,6,7);2*1H3;/q;;;+1/p-1
InChIKeyJFCUDJNPMXFAMD-UHFFFAOYSA-M
MW206.12 g/mol
LogP0.84
Rot. Bonds

About dimethylalumanylium;trifluoromethanesulfonate

dimethylalumanylium;trifluoromethanesulfonate (PubChem CID 16688558) has the molecular formula C3H6AlF3O3S and a molecular weight of 206.12 g/mol. Its IUPAC name is dimethylalumanylium;trifluoromethanesulfonate.

Molecular Properties

Compound Namedimethylalumanylium;trifluoromethanesulfonate
PubChem CID16688558
Molecular FormulaC3H6AlF3O3S
Molecular Weight206.12 g/mol
Exact Mass205.98
IUPAC Namedimethylalumanylium;trifluoromethanesulfonate
SMILESC[Al+]C.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/CHF3O3S.2CH3.Al/c2-1(3,4)8(5,6)7;;;/h(H,5,6,7);2*1H3;/q;;;+1/p-1
InChIKeyJFCUDJNPMXFAMD-UHFFFAOYSA-M
XLogP0.84
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 50.84
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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Related Compounds

pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
trifluoromethanesulfonate;trimethylstannanylium
CID 119095664
ditert-butyliodanium;trifluoromethanesulfonate
CID 87291991
oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
CID 24866233
lanthanum(3+);tris(trifluoromethanesulfonate);hydrate
CID 71311383
copper;bis(trifluoromethanesulfonate);trihydrate
CID 140682148
lanthanum(3+);trifluoromethanesulfonate;hydrate
CID 22625223
scandium(3+);tris(trifluoromethanesulfonate);hydrate
CID 134128705

Frequently Asked Questions

What is the IUPAC name of dimethylalumanylium;trifluoromethanesulfonate?
The IUPAC name of dimethylalumanylium;trifluoromethanesulfonate (CID 16688558) is dimethylalumanylium;trifluoromethanesulfonate.
What is the SMILES notation for dimethylalumanylium;trifluoromethanesulfonate?
The canonical SMILES for dimethylalumanylium;trifluoromethanesulfonate is C[Al+]C.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of dimethylalumanylium;trifluoromethanesulfonate?
The InChIKey is JFCUDJNPMXFAMD-UHFFFAOYSA-M. The full InChI is InChI=1S/CHF3O3S.2CH3.Al/c2-1(3,4)8(5,6)7;;;/h(H,5,6,7);2*1H3;/q;;;+1/p-1.
What are the key properties of dimethylalumanylium;trifluoromethanesulfonate?
dimethylalumanylium;trifluoromethanesulfonate has a molecular weight of 206.12 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylalumanylium;trifluoromethanesulfonate is sourced from PubChem (CID 16688558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).