1-cyclopropyl-3-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione

C13H11F3N2O2 — CID 43411434

IUPAC1-cyclopropyl-3-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(F)c(F)c2F)C(=O)N1C1CC1
InChIInChI=1S/C13H11F3N2O2/c14-7-3-4-8(12(16)11(7)15)17-9-5-10(19)18(13(9)20)6-1-2-6/h3-4,6,9,17H,1-2,5H2
InChIKeyIFEJXNNYAOPLHB-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.81
Rot. Bonds3

About 1-cyclopropyl-3-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione

1-cyclopropyl-3-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione (PubChem CID 43411434) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione
PubChem CID43411434
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name1-cyclopropyl-3-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(F)c(F)c2F)C(=O)N1C1CC1
InChIInChI=1S/C13H11F3N2O2/c14-7-3-4-8(12(16)11(7)15)17-9-5-10(19)18(13(9)20)6-1-2-6/h3-4,6,9,17H,1-2,5H2
InChIKeyIFEJXNNYAOPLHB-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione (CID 43411434) is 1-cyclopropyl-3-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione is O=C1CC(Nc2ccc(F)c(F)c2F)C(=O)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione?
The InChIKey is IFEJXNNYAOPLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-7-3-4-8(12(16)11(7)15)17-9-5-10(19)18(13(9)20)6-1-2-6/h3-4,6,9,17H,1-2,5H2.
What are the key properties of 1-cyclopropyl-3-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione?
1-cyclopropyl-3-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione has a molecular weight of 284.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43411434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).