methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate

C8H10F3NO3 — CID 175386535

IUPACmethyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1CC(C(F)(F)F)CC1=O
InChIInChI=1S/C8H10F3NO3/c1-15-7(14)4-12-3-5(2-6(12)13)8(9,10)11/h5H,2-4H2,1H3
InChIKeyUNZMKVURGXFVGO-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.57
Rot. Bonds2

About methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate

methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate (PubChem CID 175386535) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate
PubChem CID175386535
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Namemethyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1CC(C(F)(F)F)CC1=O
InChIInChI=1S/C8H10F3NO3/c1-15-7(14)4-12-3-5(2-6(12)13)8(9,10)11/h5H,2-4H2,1H3
InChIKeyUNZMKVURGXFVGO-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate 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 methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate (CID 175386535) is methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate is COC(=O)CN1CC(C(F)(F)F)CC1=O.
What is the InChIKey of methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate?
The InChIKey is UNZMKVURGXFVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c1-15-7(14)4-12-3-5(2-6(12)13)8(9,10)11/h5H,2-4H2,1H3.
What are the key properties of methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate?
methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate has a molecular weight of 225.17 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate is sourced from PubChem (CID 175386535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).