5,5-dichlorofuran-2-one

C4H2Cl2O2 — CID 15709253

IUPAC5,5-dichlorofuran-2-one
SMILESO=C1C=CC(Cl)(Cl)O1
InChIInChI=1S/C4H2Cl2O2/c5-4(6)2-1-3(7)8-4/h1-2H
InChIKeyMVLFAEDKKUPGST-UHFFFAOYSA-N
MW152.96 g/mol
LogP1.23
Rot. Bonds

About 5,5-dichlorofuran-2-one

5,5-dichlorofuran-2-one (PubChem CID 15709253) has the molecular formula C4H2Cl2O2 and a molecular weight of 152.96 g/mol. Its IUPAC name is 5,5-dichlorofuran-2-one.

Molecular Properties

Compound Name5,5-dichlorofuran-2-one
PubChem CID15709253
Molecular FormulaC4H2Cl2O2
Molecular Weight152.96 g/mol
Exact Mass151.94
IUPAC Name5,5-dichlorofuran-2-one
SMILESO=C1C=CC(Cl)(Cl)O1
InChIInChI=1S/C4H2Cl2O2/c5-4(6)2-1-3(7)8-4/h1-2H
InChIKeyMVLFAEDKKUPGST-UHFFFAOYSA-N
XLogP1.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.96
LogP ≤ 51.23
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 5,5-dichlorofuran-2-one?
The IUPAC name of 5,5-dichlorofuran-2-one (CID 15709253) is 5,5-dichlorofuran-2-one.
What is the SMILES notation for 5,5-dichlorofuran-2-one?
The canonical SMILES for 5,5-dichlorofuran-2-one is O=C1C=CC(Cl)(Cl)O1.
What is the InChIKey of 5,5-dichlorofuran-2-one?
The InChIKey is MVLFAEDKKUPGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2O2/c5-4(6)2-1-3(7)8-4/h1-2H.
What are the key properties of 5,5-dichlorofuran-2-one?
5,5-dichlorofuran-2-one has a molecular weight of 152.96 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichlorofuran-2-one is sourced from PubChem (CID 15709253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).