4-ethyl-5-[4-(trifluoromethyl)cyclohexyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C15H25F3N2 — CID 66209454

IUPAC4-ethyl-5-[4-(trifluoromethyl)cyclohexyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2/c1-2-14-13-8-19-7-10(13)9-20(14)12-5-3-11(4-6-12)15(16,17)18/h10-14,19H,2-9H2,1H3
InChIKeyWCJXQMQQGYLIAZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.04
Rot. Bonds2

About 4-ethyl-5-[4-(trifluoromethyl)cyclohexyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

4-ethyl-5-[4-(trifluoromethyl)cyclohexyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66209454) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-ethyl-5-[4-(trifluoromethyl)cyclohexyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-ethyl-5-[4-(trifluoromethyl)cyclohexyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66209454
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name4-ethyl-5-[4-(trifluoromethyl)cyclohexyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2/c1-2-14-13-8-19-7-10(13)9-20(14)12-5-3-11(4-6-12)15(16,17)18/h10-14,19H,2-9H2,1H3
InChIKeyWCJXQMQQGYLIAZ-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-ethyl-5-[4-(trifluoromethyl)cyclohexyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-ethyl-5-[4-(trifluoromethyl)cyclohexyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66209454) is 4-ethyl-5-[4-(trifluoromethyl)cyclohexyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-ethyl-5-[4-(trifluoromethyl)cyclohexyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-ethyl-5-[4-(trifluoromethyl)cyclohexyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-5-[4-(trifluoromethyl)cyclohexyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is WCJXQMQQGYLIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c1-2-14-13-8-19-7-10(13)9-20(14)12-5-3-11(4-6-12)15(16,17)18/h10-14,19H,2-9H2,1H3.
What are the key properties of 4-ethyl-5-[4-(trifluoromethyl)cyclohexyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-ethyl-5-[4-(trifluoromethyl)cyclohexyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 290.37 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[4-(trifluoromethyl)cyclohexyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66209454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).