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

C9H12F3NO3 — CID 15288964

IUPACethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)CCC1C(F)(F)F
InChIInChI=1S/C9H12F3NO3/c1-2-16-8(15)5-13-6(9(10,11)12)3-4-7(13)14/h6H,2-5H2,1H3
InChIKeyARRKVSQQPJCLDL-UHFFFAOYSA-N
MW239.19 g/mol
LogP1.10
Rot. Bonds3

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

ethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate (PubChem CID 15288964) has the molecular formula C9H12F3NO3 and a molecular weight of 239.19 g/mol. Its IUPAC name is ethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate
PubChem CID15288964
Molecular FormulaC9H12F3NO3
Molecular Weight239.19 g/mol
Exact Mass239.08
IUPAC Nameethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)CCC1C(F)(F)F
InChIInChI=1S/C9H12F3NO3/c1-2-16-8(15)5-13-6(9(10,11)12)3-4-7(13)14/h6H,2-5H2,1H3
InChIKeyARRKVSQQPJCLDL-UHFFFAOYSA-N
XLogP1.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate (CID 15288964) is ethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate is CCOC(=O)CN1C(=O)CCC1C(F)(F)F.
What is the InChIKey of ethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate?
The InChIKey is ARRKVSQQPJCLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3/c1-2-16-8(15)5-13-6(9(10,11)12)3-4-7(13)14/h6H,2-5H2,1H3.
What are the key properties of ethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate?
ethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate has a molecular weight of 239.19 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-oxo-5-(trifluoromethyl)pyrrolidin-1-yl]acetate is sourced from PubChem (CID 15288964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).