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

C14H23F3N2 — CID 121185743

IUPAC2-(cyclopentylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFC(F)(F)CN1CC2CN(CC3CCCC3)CC2C1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)10-19-8-12-6-18(7-13(12)9-19)5-11-3-1-2-4-11/h11-13H,1-10H2
InChIKeyYOZPFRCGRCFITC-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.60
Rot. Bonds3

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

2-(cyclopentylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 121185743) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID121185743
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name2-(cyclopentylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFC(F)(F)CN1CC2CN(CC3CCCC3)CC2C1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)10-19-8-12-6-18(7-13(12)9-19)5-11-3-1-2-4-11/h11-13H,1-10H2
InChIKeyYOZPFRCGRCFITC-UHFFFAOYSA-N
XLogP2.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,6aS)-5-[(4,4-difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534936
5-[(4,4-Difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;ethane
CID 144962866
(3aS,6aR)-2-[(4,4-difluorocyclohexyl)methyl]-5-iodo-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 144963084
5-[(3,3-difluorocyclopentyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114224389
2-Cyclopentyl-5-(2,2,2-trifluoroethyl)octahydropyrrolo[3,4-c]pyrrole
CID 121185703
2-(Cyclohexylmethyl)-5-(2,2,2-trifluoroethyl)octahydropyrrolo[3,4-c]pyrrole
CID 121185713
5-[(4,4-Difluorocyclohexyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 144962867
2-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 177148663
2-(Cyclopentylmethyl)-5-methyloctahydropyrrolo[3,4-c]pyrrole
CID 121185416

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-(cyclopentylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 121185743) is 2-(cyclopentylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-(cyclopentylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-(cyclopentylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is FC(F)(F)CN1CC2CN(CC3CCCC3)CC2C1.
What is the InChIKey of 2-(cyclopentylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is YOZPFRCGRCFITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c15-14(16,17)10-19-8-12-6-18(7-13(12)9-19)5-11-3-1-2-4-11/h11-13H,1-10H2.
What are the key properties of 2-(cyclopentylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-(cyclopentylmethyl)-5-(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 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 121185743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).