methyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate

C8H10F3NO3 — CID 155436151

IUPACmethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)CCC1C(F)(F)F
InChIInChI=1S/C8H10F3NO3/c1-15-7(14)4-12-5(8(9,10)11)2-3-6(12)13/h5H,2-4H2,1H3
InChIKeyOJWITVIJURCJSW-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.71
Rot. Bonds2

About methyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate

methyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate (PubChem CID 155436151) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is methyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate
PubChem CID155436151
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Namemethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)CCC1C(F)(F)F
InChIInChI=1S/C8H10F3NO3/c1-15-7(14)4-12-5(8(9,10)11)2-3-6(12)13/h5H,2-4H2,1H3
InChIKeyOJWITVIJURCJSW-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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate (CID 155436151) is methyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate is COC(=O)CN1C(=O)CCC1C(F)(F)F.
What is the InChIKey of methyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate?
The InChIKey is OJWITVIJURCJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c1-15-7(14)4-12-5(8(9,10)11)2-3-6(12)13/h5H,2-4H2,1H3.
What are the key properties of methyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate?
methyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate 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 methyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate is sourced from PubChem (CID 155436151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).