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

C15H25F3N2 — CID 121185740

IUPAC5-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1CCC(N2CC3CN(CC(F)(F)F)CC3C2)CC1
InChIInChI=1S/C15H25F3N2/c1-11-2-4-14(5-3-11)20-8-12-6-19(7-13(12)9-20)10-15(16,17)18/h11-14H,2-10H2,1H3
InChIKeyMWULEAFUNCOWNP-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.99
Rot. Bonds2

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

5-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 121185740) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID121185740
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name5-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1CCC(N2CC3CN(CC(F)(F)F)CC3C2)CC1
InChIInChI=1S/C15H25F3N2/c1-11-2-4-14(5-3-11)20-8-12-6-19(7-13(12)9-20)10-15(16,17)18/h11-14H,2-10H2,1H3
InChIKeyMWULEAFUNCOWNP-UHFFFAOYSA-N
XLogP2.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 121185740) is 5-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC1CCC(N2CC3CN(CC(F)(F)F)CC3C2)CC1.
What is the InChIKey of 5-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is MWULEAFUNCOWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c1-11-2-4-14(5-3-11)20-8-12-6-19(7-13(12)9-20)10-15(16,17)18/h11-14H,2-10H2,1H3.
What are the key properties of 5-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 290.37 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 121185740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).