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

C8H14F2N2O2S — CID 66208036

IUPAC5-(difluoromethylsulfonyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1S(=O)(=O)C(F)F
InChIInChI=1S/C8H14F2N2O2S/c1-5-7-3-11-2-6(7)4-12(5)15(13,14)8(9)10/h5-8,11H,2-4H2,1H3
InChIKeyJGZWPQOKGYPWAE-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.08
Rot. Bonds2

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

5-(difluoromethylsulfonyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66208036) has the molecular formula C8H14F2N2O2S and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-(difluoromethylsulfonyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(difluoromethylsulfonyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66208036
Molecular FormulaC8H14F2N2O2S
Molecular Weight240.27 g/mol
Exact Mass240.07
IUPAC Name5-(difluoromethylsulfonyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1S(=O)(=O)C(F)F
InChIInChI=1S/C8H14F2N2O2S/c1-5-7-3-11-2-6(7)4-12(5)15(13,14)8(9)10/h5-8,11H,2-4H2,1H3
InChIKeyJGZWPQOKGYPWAE-UHFFFAOYSA-N
XLogP0.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfonyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(difluoromethylsulfonyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66208036) is 5-(difluoromethylsulfonyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(difluoromethylsulfonyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(difluoromethylsulfonyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1C2CNCC2CN1S(=O)(=O)C(F)F.
What is the InChIKey of 5-(difluoromethylsulfonyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is JGZWPQOKGYPWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2S/c1-5-7-3-11-2-6(7)4-12(5)15(13,14)8(9)10/h5-8,11H,2-4H2,1H3.
What are the key properties of 5-(difluoromethylsulfonyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(difluoromethylsulfonyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 240.27 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfonyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66208036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).