1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione

C16H18F3N3O2 — CID 71865859

IUPAC1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCN1CCN(CC(F)(F)F)c2ccccc21
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)11-21-8-7-20(12-3-1-2-4-13(12)21)9-10-22-14(23)5-6-15(22)24/h1-4H,5-11H2
InChIKeyJDQZZAGCXZOKRC-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.02
Rot. Bonds4

About 1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 71865859) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID71865859
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCN1CCN(CC(F)(F)F)c2ccccc21
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)11-21-8-7-20(12-3-1-2-4-13(12)21)9-10-22-14(23)5-6-15(22)24/h1-4H,5-11H2
InChIKeyJDQZZAGCXZOKRC-UHFFFAOYSA-N
XLogP2.02
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 71865859) is 1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCN1CCN(CC(F)(F)F)c2ccccc21.
What is the InChIKey of 1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is JDQZZAGCXZOKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c17-16(18,19)11-21-8-7-20(12-3-1-2-4-13(12)21)9-10-22-14(23)5-6-15(22)24/h1-4H,5-11H2.
What are the key properties of 1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 341.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 71865859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).