8-oxo-3-(trifluoromethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol

C8H11F3O2S — CID 171951289

IUPAC8-oxo-3-(trifluoromethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol
SMILESO=S1C2CCC1CC(O)(C(F)(F)F)C2
InChIInChI=1S/C8H11F3O2S/c9-8(10,11)7(12)3-5-1-2-6(4-7)14(5)13/h5-6,12H,1-4H2
InChIKeyGJWWNAGNCQENBM-UHFFFAOYSA-N
MW228.23 g/mol
LogP1.35
Rot. Bonds

About 8-oxo-3-(trifluoromethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol

8-oxo-3-(trifluoromethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol (PubChem CID 171951289) has the molecular formula C8H11F3O2S and a molecular weight of 228.23 g/mol. Its IUPAC name is 8-oxo-3-(trifluoromethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-oxo-3-(trifluoromethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol
PubChem CID171951289
Molecular FormulaC8H11F3O2S
Molecular Weight228.23 g/mol
Exact Mass228.04
IUPAC Name8-oxo-3-(trifluoromethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol
SMILESO=S1C2CCC1CC(O)(C(F)(F)F)C2
InChIInChI=1S/C8H11F3O2S/c9-8(10,11)7(12)3-5-1-2-6(4-7)14(5)13/h5-6,12H,1-4H2
InChIKeyGJWWNAGNCQENBM-UHFFFAOYSA-N
XLogP1.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-3-(trifluoromethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-oxo-3-(trifluoromethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol (CID 171951289) is 8-oxo-3-(trifluoromethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-oxo-3-(trifluoromethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-oxo-3-(trifluoromethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol is O=S1C2CCC1CC(O)(C(F)(F)F)C2.
What is the InChIKey of 8-oxo-3-(trifluoromethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol?
The InChIKey is GJWWNAGNCQENBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2S/c9-8(10,11)7(12)3-5-1-2-6(4-7)14(5)13/h5-6,12H,1-4H2.
What are the key properties of 8-oxo-3-(trifluoromethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol?
8-oxo-3-(trifluoromethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol has a molecular weight of 228.23 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-3-(trifluoromethyl)-8λ4-thiabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171951289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).