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

C15H25F3N2 — CID 121185713

IUPAC2-(cyclohexylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFC(F)(F)CN1CC2CN(CC3CCCCC3)CC2C1
InChIInChI=1S/C15H25F3N2/c16-15(17,18)11-20-9-13-7-19(8-14(13)10-20)6-12-4-2-1-3-5-12/h12-14H,1-11H2
InChIKeyWTDRCCNITULNJZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.99
Rot. Bonds3

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

2-(cyclohexylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 121185713) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID121185713
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name2-(cyclohexylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFC(F)(F)CN1CC2CN(CC3CCCCC3)CC2C1
InChIInChI=1S/C15H25F3N2/c16-15(17,18)11-20-9-13-7-19(8-14(13)10-20)6-12-4-2-1-3-5-12/h12-14H,1-11H2
InChIKeyWTDRCCNITULNJZ-UHFFFAOYSA-N
XLogP2.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 2-(cyclohexylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-(cyclohexylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 121185713) is 2-(cyclohexylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-(cyclohexylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-(cyclohexylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is FC(F)(F)CN1CC2CN(CC3CCCCC3)CC2C1.
What is the InChIKey of 2-(cyclohexylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is WTDRCCNITULNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c16-15(17,18)11-20-9-13-7-19(8-14(13)10-20)6-12-4-2-1-3-5-12/h12-14H,1-11H2.
What are the key properties of 2-(cyclohexylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-(cyclohexylmethyl)-5-(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, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 121185713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).