5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one

C14H14F3NO3 — CID 3077932

IUPAC5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3/c1-2-21-12-7-6-11(19)18(12)13(20)9-4-3-5-10(8-9)14(15,16)17/h3-5,8,12H,2,6-7H2,1H3
InChIKeyYMVZILPVKSYREU-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.83
Rot. Bonds3

About 5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one

5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one (PubChem CID 3077932) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one
PubChem CID3077932
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3/c1-2-21-12-7-6-11(19)18(12)13(20)9-4-3-5-10(8-9)14(15,16)17/h3-5,8,12H,2,6-7H2,1H3
InChIKeyYMVZILPVKSYREU-UHFFFAOYSA-N
XLogP2.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one?
The IUPAC name of 5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one (CID 3077932) is 5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one.
What is the SMILES notation for 5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one?
The canonical SMILES for 5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one is CCOC1CCC(=O)N1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one?
The InChIKey is YMVZILPVKSYREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c1-2-21-12-7-6-11(19)18(12)13(20)9-4-3-5-10(8-9)14(15,16)17/h3-5,8,12H,2,6-7H2,1H3.
What are the key properties of 5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one?
5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one has a molecular weight of 301.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-[3-(trifluoromethyl)benzoyl]pyrrolidin-2-one is sourced from PubChem (CID 3077932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).