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

C11H17F3N2O3 — CID 55260876

IUPAC1-propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCCOCC(F)(F)F)C1=O
InChIInChI=1S/C11H17F3N2O3/c1-2-4-16-9(17)6-8(10(16)18)15-3-5-19-7-11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyBVNJELHWHWXLSX-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.69
Rot. Bonds7

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

1-propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione (PubChem CID 55260876) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
PubChem CID55260876
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NCCOCC(F)(F)F)C1=O
InChIInChI=1S/C11H17F3N2O3/c1-2-4-16-9(17)6-8(10(16)18)15-3-5-19-7-11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyBVNJELHWHWXLSX-UHFFFAOYSA-N
XLogP0.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.69
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-propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione (CID 55260876) is 1-propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione is CCCN1C(=O)CC(NCCOCC(F)(F)F)C1=O.
What is the InChIKey of 1-propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is BVNJELHWHWXLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-4-16-9(17)6-8(10(16)18)15-3-5-19-7-11(12,13)14/h8,15H,2-7H2,1H3.
What are the key properties of 1-propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
1-propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 282.26 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 55260876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).