1-(2,2,2-trichloroethoxy)ethanol

C4H7Cl3O2 — CID 20975529

IUPAC1-(2,2,2-trichloroethoxy)ethanol
SMILESCC(O)OCC(Cl)(Cl)Cl
InChIInChI=1S/C4H7Cl3O2/c1-3(8)9-2-4(5,6)7/h3,8H,2H2,1H3
InChIKeyLBTXAMYBIKWNBN-UHFFFAOYSA-N
MW193.46 g/mol
LogP1.71
Rot. Bonds2

About 1-(2,2,2-trichloroethoxy)ethanol

1-(2,2,2-trichloroethoxy)ethanol (PubChem CID 20975529) has the molecular formula C4H7Cl3O2 and a molecular weight of 193.46 g/mol. Its IUPAC name is 1-(2,2,2-trichloroethoxy)ethanol.

Molecular Properties

Compound Name1-(2,2,2-trichloroethoxy)ethanol
PubChem CID20975529
Molecular FormulaC4H7Cl3O2
Molecular Weight193.46 g/mol
Exact Mass191.95
IUPAC Name1-(2,2,2-trichloroethoxy)ethanol
SMILESCC(O)OCC(Cl)(Cl)Cl
InChIInChI=1S/C4H7Cl3O2/c1-3(8)9-2-4(5,6)7/h3,8H,2H2,1H3
InChIKeyLBTXAMYBIKWNBN-UHFFFAOYSA-N
XLogP1.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trichloroethoxy)ethanol?
The IUPAC name of 1-(2,2,2-trichloroethoxy)ethanol (CID 20975529) is 1-(2,2,2-trichloroethoxy)ethanol.
What is the SMILES notation for 1-(2,2,2-trichloroethoxy)ethanol?
The canonical SMILES for 1-(2,2,2-trichloroethoxy)ethanol is CC(O)OCC(Cl)(Cl)Cl.
What is the InChIKey of 1-(2,2,2-trichloroethoxy)ethanol?
The InChIKey is LBTXAMYBIKWNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl3O2/c1-3(8)9-2-4(5,6)7/h3,8H,2H2,1H3.
What are the key properties of 1-(2,2,2-trichloroethoxy)ethanol?
1-(2,2,2-trichloroethoxy)ethanol has a molecular weight of 193.46 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trichloroethoxy)ethanol is sourced from PubChem (CID 20975529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).