2-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C13H23F3N2 — CID 121185732

IUPAC2-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)(C)CN1CC2CN(CC(F)(F)F)CC2C1
InChIInChI=1S/C13H23F3N2/c1-12(2,3)8-17-4-10-6-18(7-11(10)5-17)9-13(14,15)16/h10-11H,4-9H2,1-3H3
InChIKeyJEGRDRAODYUEGH-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.46
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

2-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 121185732) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID121185732
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name2-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)(C)CN1CC2CN(CC(F)(F)F)CC2C1
InChIInChI=1S/C13H23F3N2/c1-12(2,3)8-17-4-10-6-18(7-11(10)5-17)9-13(14,15)16/h10-11H,4-9H2,1-3H3
InChIKeyJEGRDRAODYUEGH-UHFFFAOYSA-N
XLogP2.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 121185732) is 2-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC(C)(C)CN1CC2CN(CC(F)(F)F)CC2C1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is JEGRDRAODYUEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-12(2,3)8-17-4-10-6-18(7-11(10)5-17)9-13(14,15)16/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 264.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 121185732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).