2-(1,2,2-trichloroethoxy)acetic acid

C4H5Cl3O3 — CID 175187287

IUPAC2-(1,2,2-trichloroethoxy)acetic acid
SMILESO=C(O)COC(Cl)C(Cl)Cl
InChIInChI=1S/C4H5Cl3O3/c5-3(6)4(7)10-1-2(8)9/h3-4H,1H2,(H,8,9)
InChIKeyZVPRAXRKYURAJH-UHFFFAOYSA-N
MW207.44 g/mol
LogP1.46
Rot. Bonds4

About 2-(1,2,2-trichloroethoxy)acetic acid

2-(1,2,2-trichloroethoxy)acetic acid (PubChem CID 175187287) has the molecular formula C4H5Cl3O3 and a molecular weight of 207.44 g/mol. Its IUPAC name is 2-(1,2,2-trichloroethoxy)acetic acid.

Molecular Properties

Compound Name2-(1,2,2-trichloroethoxy)acetic acid
PubChem CID175187287
Molecular FormulaC4H5Cl3O3
Molecular Weight207.44 g/mol
Exact Mass205.93
IUPAC Name2-(1,2,2-trichloroethoxy)acetic acid
SMILESO=C(O)COC(Cl)C(Cl)Cl
InChIInChI=1S/C4H5Cl3O3/c5-3(6)4(7)10-1-2(8)9/h3-4H,1H2,(H,8,9)
InChIKeyZVPRAXRKYURAJH-UHFFFAOYSA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2-trichloroethoxy)acetic acid?
The IUPAC name of 2-(1,2,2-trichloroethoxy)acetic acid (CID 175187287) is 2-(1,2,2-trichloroethoxy)acetic acid.
What is the SMILES notation for 2-(1,2,2-trichloroethoxy)acetic acid?
The canonical SMILES for 2-(1,2,2-trichloroethoxy)acetic acid is O=C(O)COC(Cl)C(Cl)Cl.
What is the InChIKey of 2-(1,2,2-trichloroethoxy)acetic acid?
The InChIKey is ZVPRAXRKYURAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Cl3O3/c5-3(6)4(7)10-1-2(8)9/h3-4H,1H2,(H,8,9).
What are the key properties of 2-(1,2,2-trichloroethoxy)acetic acid?
2-(1,2,2-trichloroethoxy)acetic acid has a molecular weight of 207.44 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trichloroethoxy)acetic acid is sourced from PubChem (CID 175187287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).