3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C11H19F3N2O2 — CID 55164183

IUPAC3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(CCO)CC(F)(F)F)CCNC1
InChIInChI=1S/C11H19F3N2O2/c1-2-10(3-4-15-7-10)9(18)16(5-6-17)8-11(12,13)14/h15,17H,2-8H2,1H3
InChIKeyLMTJLVHOAYFEAY-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.76
Rot. Bonds5

About 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 55164183) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID55164183
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(CCO)CC(F)(F)F)CCNC1
InChIInChI=1S/C11H19F3N2O2/c1-2-10(3-4-15-7-10)9(18)16(5-6-17)8-11(12,13)14/h15,17H,2-8H2,1H3
InChIKeyLMTJLVHOAYFEAY-UHFFFAOYSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide 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 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 55164183) is 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCC1(C(=O)N(CCO)CC(F)(F)F)CCNC1.
What is the InChIKey of 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is LMTJLVHOAYFEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-10(3-4-15-7-10)9(18)16(5-6-17)8-11(12,13)14/h15,17H,2-8H2,1H3.
What are the key properties of 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55164183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).