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

C7H12F2N2O2S — CID 74884888

IUPAC1-(difluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESO=S(=O)(C(F)F)N1CCC2CNCC21
InChIInChI=1S/C7H12F2N2O2S/c8-7(9)14(12,13)11-2-1-5-3-10-4-6(5)11/h5-7,10H,1-4H2
InChIKeyPUYUQTDDOGXLHD-UHFFFAOYSA-N
MW226.25 g/mol
LogP-0.17
Rot. Bonds2

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

1-(difluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (PubChem CID 74884888) has the molecular formula C7H12F2N2O2S and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
PubChem CID74884888
Molecular FormulaC7H12F2N2O2S
Molecular Weight226.25 g/mol
Exact Mass226.06
IUPAC Name1-(difluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
SMILESO=S(=O)(C(F)F)N1CCC2CNCC21
InChIInChI=1S/C7H12F2N2O2S/c8-7(9)14(12,13)11-2-1-5-3-10-4-6(5)11/h5-7,10H,1-4H2
InChIKeyPUYUQTDDOGXLHD-UHFFFAOYSA-N
XLogP-0.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The IUPAC name of 1-(difluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole (CID 74884888) is 1-(difluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is O=S(=O)(C(F)F)N1CCC2CNCC21.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
The InChIKey is PUYUQTDDOGXLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2S/c8-7(9)14(12,13)11-2-1-5-3-10-4-6(5)11/h5-7,10H,1-4H2.
What are the key properties of 1-(difluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole?
1-(difluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole has a molecular weight of 226.25 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 74884888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).