2,2,4,5-tetrachloro-1,3-dioxolane

C3H2Cl4O2 — CID 19099810

IUPAC2,2,4,5-tetrachloro-1,3-dioxolane
SMILESClC1OC(Cl)(Cl)OC1Cl
InChIInChI=1S/C3H2Cl4O2/c4-1-2(5)9-3(6,7)8-1/h1-2H
InChIKeyCBBCDCWBKDHQQJ-UHFFFAOYSA-N
MW211.86 g/mol
LogP2.25
Rot. Bonds

About 2,2,4,5-tetrachloro-1,3-dioxolane

2,2,4,5-tetrachloro-1,3-dioxolane (PubChem CID 19099810) has the molecular formula C3H2Cl4O2 and a molecular weight of 211.86 g/mol. Its IUPAC name is 2,2,4,5-tetrachloro-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4,5-tetrachloro-1,3-dioxolane
PubChem CID19099810
Molecular FormulaC3H2Cl4O2
Molecular Weight211.86 g/mol
Exact Mass209.88
IUPAC Name2,2,4,5-tetrachloro-1,3-dioxolane
SMILESClC1OC(Cl)(Cl)OC1Cl
InChIInChI=1S/C3H2Cl4O2/c4-1-2(5)9-3(6,7)8-1/h1-2H
InChIKeyCBBCDCWBKDHQQJ-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.86
LogP ≤ 52.25
H-Bond Donors ≤ 50
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 2,2,4,5-tetrachloro-1,3-dioxolane?
The IUPAC name of 2,2,4,5-tetrachloro-1,3-dioxolane (CID 19099810) is 2,2,4,5-tetrachloro-1,3-dioxolane.
What is the SMILES notation for 2,2,4,5-tetrachloro-1,3-dioxolane?
The canonical SMILES for 2,2,4,5-tetrachloro-1,3-dioxolane is ClC1OC(Cl)(Cl)OC1Cl.
What is the InChIKey of 2,2,4,5-tetrachloro-1,3-dioxolane?
The InChIKey is CBBCDCWBKDHQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl4O2/c4-1-2(5)9-3(6,7)8-1/h1-2H.
What are the key properties of 2,2,4,5-tetrachloro-1,3-dioxolane?
2,2,4,5-tetrachloro-1,3-dioxolane has a molecular weight of 211.86 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetrachloro-1,3-dioxolane is sourced from PubChem (CID 19099810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).