2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide

C11H20F3N3O3 — CID 86711150

IUPAC2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide
SMILESO=C(NCC1CNCCN1CCOCCO)C(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c12-11(13,14)10(19)16-8-9-7-15-1-2-17(9)3-5-20-6-4-18/h9,15,18H,1-8H2,(H,16,19)
InChIKeyIZRMPWYXHAPLCT-UHFFFAOYSA-N
MW299.29 g/mol
LogP-1.05
Rot. Bonds7

About 2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide

2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide (PubChem CID 86711150) has the molecular formula C11H20F3N3O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide
PubChem CID86711150
Molecular FormulaC11H20F3N3O3
Molecular Weight299.29 g/mol
Exact Mass299.15
IUPAC Name2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide
SMILESO=C(NCC1CNCCN1CCOCCO)C(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c12-11(13,14)10(19)16-8-9-7-15-1-2-17(9)3-5-20-6-4-18/h9,15,18H,1-8H2,(H,16,19)
InChIKeyIZRMPWYXHAPLCT-UHFFFAOYSA-N
XLogP-1.05
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide 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 2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide (CID 86711150) is 2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide is O=C(NCC1CNCCN1CCOCCO)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide?
The InChIKey is IZRMPWYXHAPLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3/c12-11(13,14)10(19)16-8-9-7-15-1-2-17(9)3-5-20-6-4-18/h9,15,18H,1-8H2,(H,16,19).
What are the key properties of 2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide has a molecular weight of 299.29 g/mol, XLogP of -1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-[2-(2-hydroxyethoxy)ethyl]piperazin-2-yl]methyl]acetamide is sourced from PubChem (CID 86711150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).