(2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate

C8H10F3NO3 — CID 140890097

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate
SMILESO=C(COC(=O)C(F)(F)F)N1CCCC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)7(14)15-5-6(13)12-3-1-2-4-12/h1-5H2
InChIKeyFMMXQEWCBMNQRY-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.71
Rot. Bonds2

About (2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate

(2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate (PubChem CID 140890097) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate
PubChem CID140890097
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate
SMILESO=C(COC(=O)C(F)(F)F)N1CCCC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)7(14)15-5-6(13)12-3-1-2-4-12/h1-5H2
InChIKeyFMMXQEWCBMNQRY-UHFFFAOYSA-N
XLogP0.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate 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 (2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate (CID 140890097) is (2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate is O=C(COC(=O)C(F)(F)F)N1CCCC1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate?
The InChIKey is FMMXQEWCBMNQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)7(14)15-5-6(13)12-3-1-2-4-12/h1-5H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate has a molecular weight of 225.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 140890097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).