1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate

C7H12F3O3S2Te+ — CID 139091439

IUPAC1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate
SMILESO=S(=O)(O[Te]12CCC[S+]1CCC2)C(F)(F)F
InChIInChI=1S/C7H12F3O3S2Te/c8-7(9,10)15(11,12)13-16-5-1-3-14(16)4-2-6-16/h1-6H2/q+1
InChIKeyYCZVOARGGWKDRF-UHFFFAOYSA-N
MW392.90 g/mol
LogP1.72
Rot. Bonds2

About 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate

1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate (PubChem CID 139091439) has the molecular formula C7H12F3O3S2Te+ and a molecular weight of 392.90 g/mol. Its IUPAC name is 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate.

Molecular Properties

Compound Name1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate
PubChem CID139091439
Molecular FormulaC7H12F3O3S2Te+
Molecular Weight392.90 g/mol
Exact Mass394.92
IUPAC Name1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate
SMILESO=S(=O)(O[Te]12CCC[S+]1CCC2)C(F)(F)F
InChIInChI=1S/C7H12F3O3S2Te/c8-7(9,10)15(11,12)13-16-5-1-3-14(16)4-2-6-16/h1-6H2/q+1
InChIKeyYCZVOARGGWKDRF-UHFFFAOYSA-N
XLogP1.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.90
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5-Dithioniabicyclo-[3.3.0]octane-bis(trifluoromethanesulfonate)
CID 11733002
5-Thioniatelluroniabicyclo[3.3.0]octane bis(trifluoromethanesulfonate)
CID 139091438

Frequently Asked Questions

What is the IUPAC name of 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate?
The IUPAC name of 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate (CID 139091439) is 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate.
What is the SMILES notation for 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate?
The canonical SMILES for 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate is O=S(=O)(O[Te]12CCC[S+]1CCC2)C(F)(F)F.
What is the InChIKey of 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate?
The InChIKey is YCZVOARGGWKDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3O3S2Te/c8-7(9,10)15(11,12)13-16-5-1-3-14(16)4-2-6-16/h1-6H2/q+1.
What are the key properties of 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate?
1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate has a molecular weight of 392.90 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate is sourced from PubChem (CID 139091439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).