2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate

C6H3Cl2O4- — CID 102515186

IUPAC2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate
SMILESO=C1C=CC(Cl)(C(Cl)C(=O)[O-])O1
InChIInChI=1S/C6H4Cl2O4/c7-4(5(10)11)6(8)2-1-3(9)12-6/h1-2,4H,(H,10,11)/p-1
InChIKeySDQUHKGJIQHYHQ-UHFFFAOYSA-M
MW209.99 g/mol
LogP-0.61
Rot. Bonds2

About 2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate

2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate (PubChem CID 102515186) has the molecular formula C6H3Cl2O4- and a molecular weight of 209.99 g/mol. Its IUPAC name is 2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate.

Molecular Properties

Compound Name2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate
PubChem CID102515186
Molecular FormulaC6H3Cl2O4-
Molecular Weight209.99 g/mol
Exact Mass208.94
IUPAC Name2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate
SMILESO=C1C=CC(Cl)(C(Cl)C(=O)[O-])O1
InChIInChI=1S/C6H4Cl2O4/c7-4(5(10)11)6(8)2-1-3(9)12-6/h1-2,4H,(H,10,11)/p-1
InChIKeySDQUHKGJIQHYHQ-UHFFFAOYSA-M
XLogP-0.61
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.99
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate
CID 25244290
2,4-Dichloro-5-oxo-2,5-dihydro-2-furylacetate
CID 21145098
Chloro(5-oxo-2,5-dihydrofuran-2-yl)acetate
CID 74427955
2-Chloro-2-(2-chloro-4-methyl-5-oxofuran-2-yl)acetate
CID 102514945
2-Chloro-2-(2,4-dichloro-5-oxofuran-2-yl)acetate
CID 102514978
2-chloro-2-(4-chloro-5-oxo-2H-furan-2-yl)acetate
CID 126961214
2-Chloro-4-fluoromuconolactone
CID 44123353
2,5-Dichloro-4-methyl-muconolactone
CID 44123537
2,4-Dichloro-5-oxo-2,5-dihydro-2-furylacetic acid
CID 440410
(2-Chloro-5-oxo-2,5-dihydro-2-furyl)acetate
CID 23615187
2-Chloro-2-(2-chloro-4-methyl-5-oxofuran-2-yl)acetic acid
CID 102514946
2-Chloro-2-(2,4-dichloro-5-oxofuran-2-yl)acetic acid
CID 102514979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate?
The IUPAC name of 2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate (CID 102515186) is 2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate.
What is the SMILES notation for 2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate?
The canonical SMILES for 2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate is O=C1C=CC(Cl)(C(Cl)C(=O)[O-])O1.
What is the InChIKey of 2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate?
The InChIKey is SDQUHKGJIQHYHQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4Cl2O4/c7-4(5(10)11)6(8)2-1-3(9)12-6/h1-2,4H,(H,10,11)/p-1.
What are the key properties of 2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate?
2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate has a molecular weight of 209.99 g/mol, XLogP of -0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2-chloro-5-oxofuran-2-yl)acetate is sourced from PubChem (CID 102515186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).