2-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide

C11H19F3N2O2 — CID 61244493

IUPAC2-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCCOCC(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-2-18-7-10(17)15-5-9-3-4-16(6-9)8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyJCZSNFCAVZWOQM-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.02
Rot. Bonds6

About 2-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide

2-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 61244493) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID61244493
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCCOCC(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-2-18-7-10(17)15-5-9-3-4-16(6-9)8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyJCZSNFCAVZWOQM-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide (CID 61244493) is 2-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide is CCOCC(=O)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is JCZSNFCAVZWOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-18-7-10(17)15-5-9-3-4-16(6-9)8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17).
What are the key properties of 2-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide?
2-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 61244493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).