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

C10H15F3N2O3 — CID 63828906

IUPAC1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCCOCC(F)(F)F)C1=O
InChIInChI=1S/C10H15F3N2O3/c1-2-15-8(16)5-7(9(15)17)14-3-4-18-6-10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyFQXHEECNPIXVNC-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.30
Rot. Bonds6

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

1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione (PubChem CID 63828906) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
PubChem CID63828906
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCCOCC(F)(F)F)C1=O
InChIInChI=1S/C10H15F3N2O3/c1-2-15-8(16)5-7(9(15)17)14-3-4-18-6-10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyFQXHEECNPIXVNC-UHFFFAOYSA-N
XLogP0.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.30
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-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione (CID 63828906) is 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione is CCN1C(=O)CC(NCCOCC(F)(F)F)C1=O.
What is the InChIKey of 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is FQXHEECNPIXVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-2-15-8(16)5-7(9(15)17)14-3-4-18-6-10(11,12)13/h7,14H,2-6H2,1H3.
What are the key properties of 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 268.23 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 63828906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).