4-ethyl-N-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide

C11H18F3N3O — CID 113463040

IUPAC4-ethyl-N-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCCC1C2CNCC2CN1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-2-9-8-4-15-3-7(8)5-17(9)10(18)16-6-11(12,13)14/h7-9,15H,2-6H2,1H3,(H,16,18)
InChIKeyVMTJDXPHBRJEAH-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.19
Rot. Bonds2

About 4-ethyl-N-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide

4-ethyl-N-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 113463040) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-ethyl-N-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID113463040
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name4-ethyl-N-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCCC1C2CNCC2CN1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-2-9-8-4-15-3-7(8)5-17(9)10(18)16-6-11(12,13)14/h7-9,15H,2-6H2,1H3,(H,16,18)
InChIKeyVMTJDXPHBRJEAH-UHFFFAOYSA-N
XLogP1.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide (CID 113463040) is 4-ethyl-N-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide is CCC1C2CNCC2CN1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-ethyl-N-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is VMTJDXPHBRJEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-2-9-8-4-15-3-7(8)5-17(9)10(18)16-6-11(12,13)14/h7-9,15H,2-6H2,1H3,(H,16,18).
What are the key properties of 4-ethyl-N-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
4-ethyl-N-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2,2,2-trifluoroethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 113463040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).