[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate

C16H18F3NO3 — CID 19707993

IUPAC[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate
SMILESCCCCC(=O)OC1CCN(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C16H18F3NO3/c1-2-3-7-14(21)23-13-8-9-20(15(13)22)12-6-4-5-11(10-12)16(17,18)19/h4-6,10,13H,2-3,7-9H2,1H3
InChIKeyQFZUUFKOTWTSTG-UHFFFAOYSA-N
MW329.32 g/mol
LogP3.54
Rot. Bonds5

About [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate

[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate (PubChem CID 19707993) has the molecular formula C16H18F3NO3 and a molecular weight of 329.32 g/mol. Its IUPAC name is [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate.

Molecular Properties

Compound Name[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate
PubChem CID19707993
Molecular FormulaC16H18F3NO3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC Name[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate
SMILESCCCCC(=O)OC1CCN(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C16H18F3NO3/c1-2-3-7-14(21)23-13-8-9-20(15(13)22)12-6-4-5-11(10-12)16(17,18)19/h4-6,10,13H,2-3,7-9H2,1H3
InChIKeyQFZUUFKOTWTSTG-UHFFFAOYSA-N
XLogP3.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate 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-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate?
The IUPAC name of [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate (CID 19707993) is [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate.
What is the SMILES notation for [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate?
The canonical SMILES for [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate is CCCCC(=O)OC1CCN(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate?
The InChIKey is QFZUUFKOTWTSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO3/c1-2-3-7-14(21)23-13-8-9-20(15(13)22)12-6-4-5-11(10-12)16(17,18)19/h4-6,10,13H,2-3,7-9H2,1H3.
What are the key properties of [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate?
[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate has a molecular weight of 329.32 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate is sourced from PubChem (CID 19707993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).