2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid

C5H5Cl3O5 — CID 88841041

IUPAC2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid
SMILESO=C(O)C(O)C(=O)OCC(Cl)(Cl)Cl
InChIInChI=1S/C5H5Cl3O5/c6-5(7,8)1-13-4(12)2(9)3(10)11/h2,9H,1H2,(H,10,11)
InChIKeyUYIYPJRWQJENFS-UHFFFAOYSA-N
MW251.45 g/mol
LogP0.35
Rot. Bonds3

About 2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid

2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid (PubChem CID 88841041) has the molecular formula C5H5Cl3O5 and a molecular weight of 251.45 g/mol. Its IUPAC name is 2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid
PubChem CID88841041
Molecular FormulaC5H5Cl3O5
Molecular Weight251.45 g/mol
Exact Mass249.92
IUPAC Name2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid
SMILESO=C(O)C(O)C(=O)OCC(Cl)(Cl)Cl
InChIInChI=1S/C5H5Cl3O5/c6-5(7,8)1-13-4(12)2(9)3(10)11/h2,9H,1H2,(H,10,11)
InChIKeyUYIYPJRWQJENFS-UHFFFAOYSA-N
XLogP0.35
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.45
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic 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-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid?
The IUPAC name of 2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid (CID 88841041) is 2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid?
The canonical SMILES for 2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid is O=C(O)C(O)C(=O)OCC(Cl)(Cl)Cl.
What is the InChIKey of 2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid?
The InChIKey is UYIYPJRWQJENFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl3O5/c6-5(7,8)1-13-4(12)2(9)3(10)11/h2,9H,1H2,(H,10,11).
What are the key properties of 2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid?
2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid has a molecular weight of 251.45 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-oxo-3-(2,2,2-trichloroethoxy)propanoic acid is sourced from PubChem (CID 88841041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).