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

C15H25F3N2 — CID 66209748

IUPAC4,4-dimethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2/c1-14(2)13-8-19-7-10(13)9-20(14)12-5-3-11(4-6-12)15(16,17)18/h10-13,19H,3-9H2,1-2H3
InChIKeyOETUDGDQIXZSBQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.04
Rot. Bonds1

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

4,4-dimethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66209748) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4,4-dimethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66209748
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name4,4-dimethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2/c1-14(2)13-8-19-7-10(13)9-20(14)12-5-3-11(4-6-12)15(16,17)18/h10-13,19H,3-9H2,1-2H3
InChIKeyOETUDGDQIXZSBQ-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.04
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-[4-(trifluoromethyl)cyclohexyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66209748) is 4,4-dimethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC1(C)C2CNCC2CN1C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4,4-dimethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is OETUDGDQIXZSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c1-14(2)13-8-19-7-10(13)9-20(14)12-5-3-11(4-6-12)15(16,17)18/h10-13,19H,3-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-[4-(trifluoromethyl)cyclohexyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 290.37 g/mol, XLogP of 3.04, 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-[4-(trifluoromethyl)cyclohexyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66209748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).