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

C10H17F3N2 — CID 66243383

IUPAC4,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1CC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-9(2)8-4-14-3-7(8)5-15(9)6-10(11,12)13/h7-8,14H,3-6H2,1-2H3
InChIKeyWSQHAEUKLNVWKH-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.48
Rot. Bonds1

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

4,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66243383) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66243383
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name4,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1CC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-9(2)8-4-14-3-7(8)5-15(9)6-10(11,12)13/h7-8,14H,3-6H2,1-2H3
InChIKeyWSQHAEUKLNVWKH-UHFFFAOYSA-N
XLogP1.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66243383) is 4,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC1(C)C2CNCC2CN1CC(F)(F)F.
What is the InChIKey of 4,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is WSQHAEUKLNVWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-9(2)8-4-14-3-7(8)5-15(9)6-10(11,12)13/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 222.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(2,2,2-trifluoroethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66243383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).