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

C13H12F3NO3 — CID 154167183

IUPAC[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] acetate
SMILESCC(=O)OC1CCN(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H12F3NO3/c1-8(18)20-11-5-6-17(12(11)19)10-4-2-3-9(7-10)13(14,15)16/h2-4,7,11H,5-6H2,1H3
InChIKeyZRLDEJZRVWZGFU-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.37
Rot. Bonds2

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

[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] acetate (PubChem CID 154167183) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] acetate
PubChem CID154167183
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] acetate
SMILESCC(=O)OC1CCN(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H12F3NO3/c1-8(18)20-11-5-6-17(12(11)19)10-4-2-3-9(7-10)13(14,15)16/h2-4,7,11H,5-6H2,1H3
InChIKeyZRLDEJZRVWZGFU-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] acetate?
The IUPAC name of [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] acetate (CID 154167183) is [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] acetate.
What is the SMILES notation for [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] acetate?
The canonical SMILES for [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] acetate is CC(=O)OC1CCN(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] acetate?
The InChIKey is ZRLDEJZRVWZGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c1-8(18)20-11-5-6-17(12(11)19)10-4-2-3-9(7-10)13(14,15)16/h2-4,7,11H,5-6H2,1H3.
What are the key properties of [2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] acetate?
[2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] acetate has a molecular weight of 287.24 g/mol, XLogP of 2.37, 2 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] acetate is sourced from PubChem (CID 154167183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).