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

C11H19F3N2O2 — CID 83072124

IUPAC2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(CCO)CC(F)(F)F)CCCN1
InChIInChI=1S/C11H19F3N2O2/c1-2-10(4-3-5-15-10)9(18)16(6-7-17)8-11(12,13)14/h15,17H,2-8H2,1H3
InChIKeyHDKTWDRCFBDJJO-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.90
Rot. Bonds5

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

2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 83072124) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID83072124
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)N(CCO)CC(F)(F)F)CCCN1
InChIInChI=1S/C11H19F3N2O2/c1-2-10(4-3-5-15-10)9(18)16(6-7-17)8-11(12,13)14/h15,17H,2-8H2,1H3
InChIKeyHDKTWDRCFBDJJO-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 83072124) is 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CCC1(C(=O)N(CCO)CC(F)(F)F)CCCN1.
What is the InChIKey of 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is HDKTWDRCFBDJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-10(4-3-5-15-10)9(18)16(6-7-17)8-11(12,13)14/h15,17H,2-8H2,1H3.
What are the key properties of 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83072124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).