2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetic acid

C11H9ClF3NO4 — CID 1431323

IUPAC2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H9ClF3NO4/c12-7-2-1-6(11(13,14)15)3-8(7)16-9(17)4-20-5-10(18)19/h1-3H,4-5H2,(H,16,17)(H,18,19)
InChIKeyHWKIJASQYAMDMK-UHFFFAOYSA-N
MW311.64 g/mol
LogP2.40
Rot. Bonds5

About 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetic acid

2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetic acid (PubChem CID 1431323) has the molecular formula C11H9ClF3NO4 and a molecular weight of 311.64 g/mol. Its IUPAC name is 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetic acid
PubChem CID1431323
Molecular FormulaC11H9ClF3NO4
Molecular Weight311.64 g/mol
Exact Mass311.02
IUPAC Name2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H9ClF3NO4/c12-7-2-1-6(11(13,14)15)3-8(7)16-9(17)4-20-5-10(18)19/h1-3H,4-5H2,(H,16,17)(H,18,19)
InChIKeyHWKIJASQYAMDMK-UHFFFAOYSA-N
XLogP2.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.64
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]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-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetic acid (CID 1431323) is 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetic acid?
The InChIKey is HWKIJASQYAMDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO4/c12-7-2-1-6(11(13,14)15)3-8(7)16-9(17)4-20-5-10(18)19/h1-3H,4-5H2,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetic acid?
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetic acid has a molecular weight of 311.64 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 1431323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).