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

C14H23F3N2 — CID 121185706

IUPAC5-cyclohexyl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFC(F)(F)CN1CC2CN(C3CCCCC3)CC2C1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)10-18-6-11-8-19(9-12(11)7-18)13-4-2-1-3-5-13/h11-13H,1-10H2
InChIKeyNEQXDLVZBUMSCN-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.74
Rot. Bonds2

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

5-cyclohexyl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 121185706) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 5-cyclohexyl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-cyclohexyl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID121185706
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name5-cyclohexyl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFC(F)(F)CN1CC2CN(C3CCCCC3)CC2C1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)10-18-6-11-8-19(9-12(11)7-18)13-4-2-1-3-5-13/h11-13H,1-10H2
InChIKeyNEQXDLVZBUMSCN-UHFFFAOYSA-N
XLogP2.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-cyclohexyl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 121185706) is 5-cyclohexyl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-cyclohexyl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-cyclohexyl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is FC(F)(F)CN1CC2CN(C3CCCCC3)CC2C1.
What is the InChIKey of 5-cyclohexyl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is NEQXDLVZBUMSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c15-14(16,17)10-18-6-11-8-19(9-12(11)7-18)13-4-2-1-3-5-13/h11-13H,1-10H2.
What are the key properties of 5-cyclohexyl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-cyclohexyl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 276.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 121185706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).