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

C8H12F6O6S3Te — CID 139091438

IUPAC1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate;trifluoromethanesulfonate
SMILESO=S(=O)(O[Te]12CCC[S+]1CCC2)C(F)(F)F.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C7H12F3O3S2Te.CHF3O3S/c8-7(9,10)15(11,12)13-16-5-1-3-14(16)4-2-6-16;2-1(3,4)8(5,6)7/h1-6H2;(H,5,6,7)/q+1;/p-1
InChIKeyTWPOFMTVQFJVCG-UHFFFAOYSA-M
MW541.97 g/mol
LogP1.77
Rot. Bonds2

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

1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate;trifluoromethanesulfonate (PubChem CID 139091438) has the molecular formula C8H12F6O6S3Te and a molecular weight of 541.97 g/mol. Its IUPAC name is 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate;trifluoromethanesulfonate.

Molecular Properties

Compound Name1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate;trifluoromethanesulfonate
PubChem CID139091438
Molecular FormulaC8H12F6O6S3Te
Molecular Weight541.97 g/mol
Exact Mass543.88
IUPAC Name1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate;trifluoromethanesulfonate
SMILESO=S(=O)(O[Te]12CCC[S+]1CCC2)C(F)(F)F.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C7H12F3O3S2Te.CHF3O3S/c8-7(9,10)15(11,12)13-16-5-1-3-14(16)4-2-6-16;2-1(3,4)8(5,6)7/h1-6H2;(H,5,6,7)/q+1;/p-1
InChIKeyTWPOFMTVQFJVCG-UHFFFAOYSA-M
XLogP1.77
TPSA100.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.97
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate;trifluoromethanesulfonate with MolForge

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Related Compounds

1,5-Dithioniabicyclo-[3.3.0]octane-bis(trifluoromethanesulfonate)
CID 11733002
[1-[1-(Trifluoromethylsulfonyloxy)thiolan-1-yl]thiolan-1-yl] trifluoromethanesulfonate
CID 134882239
2,2,3,4,5-Pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide
CID 118020485
2,2,3,4,4-Pentafluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane 1,1-dioxide
CID 161529243
4-(Difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide
CID 174784857
3-(Difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide
CID 175415039
1-Thionia-5lambda4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate
CID 139091439

Frequently Asked Questions

What is the IUPAC name of 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate;trifluoromethanesulfonate?
The IUPAC name of 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate;trifluoromethanesulfonate (CID 139091438) is 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate;trifluoromethanesulfonate.
What is the SMILES notation for 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate;trifluoromethanesulfonate?
The canonical SMILES for 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate;trifluoromethanesulfonate is O=S(=O)(O[Te]12CCC[S+]1CCC2)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate;trifluoromethanesulfonate?
The InChIKey is TWPOFMTVQFJVCG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12F3O3S2Te.CHF3O3S/c8-7(9,10)15(11,12)13-16-5-1-3-14(16)4-2-6-16;2-1(3,4)8(5,6)7/h1-6H2;(H,5,6,7)/q+1;/p-1.
What are the key properties of 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate;trifluoromethanesulfonate?
1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate;trifluoromethanesulfonate has a molecular weight of 541.97 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thionia-5λ4-tellurabicyclo[3.3.0]octan-5-yl trifluoromethanesulfonate;trifluoromethanesulfonate is sourced from PubChem (CID 139091438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).