8,8-dioxo-3-(trifluoromethyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol

C8H11F3O3S — CID 171951290

IUPAC8,8-dioxo-3-(trifluoromethyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol
SMILESO=S1(=O)C2CCC1CC(O)(C(F)(F)F)C2
InChIInChI=1S/C8H11F3O3S/c9-8(10,11)7(12)3-5-1-2-6(4-7)15(5,13)14/h5-6,12H,1-4H2
InChIKeyYKDMUJZWYOEWFE-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.02
Rot. Bonds

About 8,8-dioxo-3-(trifluoromethyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol

8,8-dioxo-3-(trifluoromethyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol (PubChem CID 171951290) has the molecular formula C8H11F3O3S and a molecular weight of 244.23 g/mol. Its IUPAC name is 8,8-dioxo-3-(trifluoromethyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8,8-dioxo-3-(trifluoromethyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol
PubChem CID171951290
Molecular FormulaC8H11F3O3S
Molecular Weight244.23 g/mol
Exact Mass244.04
IUPAC Name8,8-dioxo-3-(trifluoromethyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol
SMILESO=S1(=O)C2CCC1CC(O)(C(F)(F)F)C2
InChIInChI=1S/C8H11F3O3S/c9-8(10,11)7(12)3-5-1-2-6(4-7)15(5,13)14/h5-6,12H,1-4H2
InChIKeyYKDMUJZWYOEWFE-UHFFFAOYSA-N
XLogP1.02
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,8-dioxo-3-(trifluoromethyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8,8-dioxo-3-(trifluoromethyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol (CID 171951290) is 8,8-dioxo-3-(trifluoromethyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8,8-dioxo-3-(trifluoromethyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8,8-dioxo-3-(trifluoromethyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol is O=S1(=O)C2CCC1CC(O)(C(F)(F)F)C2.
What is the InChIKey of 8,8-dioxo-3-(trifluoromethyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol?
The InChIKey is YKDMUJZWYOEWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O3S/c9-8(10,11)7(12)3-5-1-2-6(4-7)15(5,13)14/h5-6,12H,1-4H2.
What are the key properties of 8,8-dioxo-3-(trifluoromethyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol?
8,8-dioxo-3-(trifluoromethyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol has a molecular weight of 244.23 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dioxo-3-(trifluoromethyl)-8λ6-thiabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171951290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).