3-(2-ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C12H19F3N2O2 — CID 56786015

IUPAC3-(2-ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCCC1CN(C2CCN(CC(F)(F)F)C2=O)CCO1
InChIInChI=1S/C12H19F3N2O2/c1-2-9-7-16(5-6-19-9)10-3-4-17(11(10)18)8-12(13,14)15/h9-10H,2-8H2,1H3
InChIKeyGIAVROQTFBHPHD-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.26
Rot. Bonds3

About 3-(2-ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-(2-ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 56786015) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-(2-ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID56786015
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name3-(2-ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCCC1CN(C2CCN(CC(F)(F)F)C2=O)CCO1
InChIInChI=1S/C12H19F3N2O2/c1-2-9-7-16(5-6-19-9)10-3-4-17(11(10)18)8-12(13,14)15/h9-10H,2-8H2,1H3
InChIKeyGIAVROQTFBHPHD-UHFFFAOYSA-N
XLogP1.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-(2-ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 56786015) is 3-(2-ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2-ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(2-ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CCC1CN(C2CCN(CC(F)(F)F)C2=O)CCO1.
What is the InChIKey of 3-(2-ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is GIAVROQTFBHPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-2-9-7-16(5-6-19-9)10-3-4-17(11(10)18)8-12(13,14)15/h9-10H,2-8H2,1H3.
What are the key properties of 3-(2-ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-(2-ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 280.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 56786015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).