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

C11H19F3N2 — CID 66209134

IUPAC4-ethyl-5-(3,3,3-trifluoropropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1CCC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-2-10-9-6-15-5-8(9)7-16(10)4-3-11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeyWTCQHOYWTOLLDS-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.87
Rot. Bonds3

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

4-ethyl-5-(3,3,3-trifluoropropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66209134) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-ethyl-5-(3,3,3-trifluoropropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-ethyl-5-(3,3,3-trifluoropropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66209134
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name4-ethyl-5-(3,3,3-trifluoropropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1CCC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-2-10-9-6-15-5-8(9)7-16(10)4-3-11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeyWTCQHOYWTOLLDS-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-5-(3,3,3-trifluoropropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(3,3,3-trifluoropropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-ethyl-5-(3,3,3-trifluoropropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66209134) is 4-ethyl-5-(3,3,3-trifluoropropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-ethyl-5-(3,3,3-trifluoropropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-ethyl-5-(3,3,3-trifluoropropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1CCC(F)(F)F.
What is the InChIKey of 4-ethyl-5-(3,3,3-trifluoropropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is WTCQHOYWTOLLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-2-10-9-6-15-5-8(9)7-16(10)4-3-11(12,13)14/h8-10,15H,2-7H2,1H3.
What are the key properties of 4-ethyl-5-(3,3,3-trifluoropropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-ethyl-5-(3,3,3-trifluoropropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 236.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(3,3,3-trifluoropropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66209134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).