2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid

C10H15F3N2O4 — CID 61328225

IUPAC2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid
SMILESO=C(O)COCC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)7-14-1-3-15(4-2-14)8(16)5-19-6-9(17)18/h1-7H2,(H,17,18)
InChIKeyLDLWIGIADQDCNW-UHFFFAOYSA-N
MW284.23 g/mol
LogP-0.21
Rot. Bonds5

About 2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid

2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid (PubChem CID 61328225) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid
PubChem CID61328225
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid
SMILESO=C(O)COCC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)7-14-1-3-15(4-2-14)8(16)5-19-6-9(17)18/h1-7H2,(H,17,18)
InChIKeyLDLWIGIADQDCNW-UHFFFAOYSA-N
XLogP-0.21
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid 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-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid (CID 61328225) is 2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid is O=C(O)COCC(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid?
The InChIKey is LDLWIGIADQDCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c11-10(12,13)7-14-1-3-15(4-2-14)8(16)5-19-6-9(17)18/h1-7H2,(H,17,18).
What are the key properties of 2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid?
2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid has a molecular weight of 284.23 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethoxy]acetic acid is sourced from PubChem (CID 61328225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).