1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione

C11H15F3N2O3 — CID 55260877

IUPAC1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCOCC(F)(F)F)C(=O)N1C1CC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)6-19-4-3-15-8-5-9(17)16(10(8)18)7-1-2-7/h7-8,15H,1-6H2
InChIKeyBBALMMHVABGTFM-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.44
Rot. Bonds6

About 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione

1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione (PubChem CID 55260877) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
PubChem CID55260877
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCOCC(F)(F)F)C(=O)N1C1CC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)6-19-4-3-15-8-5-9(17)16(10(8)18)7-1-2-7/h7-8,15H,1-6H2
InChIKeyBBALMMHVABGTFM-UHFFFAOYSA-N
XLogP0.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione (CID 55260877) is 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione is O=C1CC(NCCOCC(F)(F)F)C(=O)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is BBALMMHVABGTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)6-19-4-3-15-8-5-9(17)16(10(8)18)7-1-2-7/h7-8,15H,1-6H2.
What are the key properties of 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 280.25 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 55260877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).