5-(trifluoromethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C7H11F3N2O2S — CID 66211230

IUPAC5-(trifluoromethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESO=S(=O)(N1CC2CNCC2C1)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2S/c8-7(9,10)15(13,14)12-3-5-1-11-2-6(5)4-12/h5-6,11H,1-4H2
InChIKeyBCDFXGIQKCUTKU-UHFFFAOYSA-N
MW244.24 g/mol
LogP-0.01
Rot. Bonds1

About 5-(trifluoromethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(trifluoromethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66211230) has the molecular formula C7H11F3N2O2S and a molecular weight of 244.24 g/mol. Its IUPAC name is 5-(trifluoromethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(trifluoromethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66211230
Molecular FormulaC7H11F3N2O2S
Molecular Weight244.24 g/mol
Exact Mass244.05
IUPAC Name5-(trifluoromethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESO=S(=O)(N1CC2CNCC2C1)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2S/c8-7(9,10)15(13,14)12-3-5-1-11-2-6(5)4-12/h5-6,11H,1-4H2
InChIKeyBCDFXGIQKCUTKU-UHFFFAOYSA-N
XLogP-0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(trifluoromethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66211230) is 5-(trifluoromethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(trifluoromethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(trifluoromethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is O=S(=O)(N1CC2CNCC2C1)C(F)(F)F.
What is the InChIKey of 5-(trifluoromethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is BCDFXGIQKCUTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2S/c8-7(9,10)15(13,14)12-3-5-1-11-2-6(5)4-12/h5-6,11H,1-4H2.
What are the key properties of 5-(trifluoromethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(trifluoromethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 244.24 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66211230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).