2,3-dichlorooxolane

C4H6Cl2O — CID 19025

IUPAC2,3-dichlorooxolane
SMILESClC1CCOC1Cl
InChIInChI=1S/C4H6Cl2O/c5-3-1-2-7-4(3)6/h3-4H,1-2H2
InChIKeyZQHLMWUFVRLDRK-UHFFFAOYSA-N
MW141.00 g/mol
LogP1.58
Rot. Bonds

About 2,3-dichlorooxolane

2,3-dichlorooxolane (PubChem CID 19025) has the molecular formula C4H6Cl2O and a molecular weight of 141.00 g/mol. Its IUPAC name is 2,3-dichlorooxolane.

Molecular Properties

Compound Name2,3-dichlorooxolane
PubChem CID19025
Molecular FormulaC4H6Cl2O
Molecular Weight141.00 g/mol
Exact Mass139.98
IUPAC Name2,3-dichlorooxolane
SMILESClC1CCOC1Cl
InChIInChI=1S/C4H6Cl2O/c5-3-1-2-7-4(3)6/h3-4H,1-2H2
InChIKeyZQHLMWUFVRLDRK-UHFFFAOYSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.00
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,3-dichlorooxolane?
The IUPAC name of 2,3-dichlorooxolane (CID 19025) is 2,3-dichlorooxolane.
What is the SMILES notation for 2,3-dichlorooxolane?
The canonical SMILES for 2,3-dichlorooxolane is ClC1CCOC1Cl.
What is the InChIKey of 2,3-dichlorooxolane?
The InChIKey is ZQHLMWUFVRLDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2O/c5-3-1-2-7-4(3)6/h3-4H,1-2H2.
What are the key properties of 2,3-dichlorooxolane?
2,3-dichlorooxolane has a molecular weight of 141.00 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichlorooxolane is sourced from PubChem (CID 19025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).