chloroethene;ethenyl carbonochloridate

C5H6Cl2O2 — CID 20503955

IUPACchloroethene;ethenyl carbonochloridate
SMILESC=CCl.C=COC(=O)Cl
InChIInChI=1S/C3H3ClO2.C2H3Cl/c1-2-6-3(4)5;1-2-3/h2H,1H2;2H,1H2
InChIKeyHAQPJKXTKQXDLL-UHFFFAOYSA-N
MW169.01 g/mol
LogP2.87
Rot. Bonds1

About chloroethene;ethenyl carbonochloridate

chloroethene;ethenyl carbonochloridate (PubChem CID 20503955) has the molecular formula C5H6Cl2O2 and a molecular weight of 169.01 g/mol. Its IUPAC name is chloroethene;ethenyl carbonochloridate.

Molecular Properties

Compound Namechloroethene;ethenyl carbonochloridate
PubChem CID20503955
Molecular FormulaC5H6Cl2O2
Molecular Weight169.01 g/mol
Exact Mass167.97
IUPAC Namechloroethene;ethenyl carbonochloridate
SMILESC=CCl.C=COC(=O)Cl
InChIInChI=1S/C3H3ClO2.C2H3Cl/c1-2-6-3(4)5;1-2-3/h2H,1H2;2H,1H2
InChIKeyHAQPJKXTKQXDLL-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.01
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze chloroethene;ethenyl carbonochloridate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloroethene;ethenyl carbonochloridate?
The IUPAC name of chloroethene;ethenyl carbonochloridate (CID 20503955) is chloroethene;ethenyl carbonochloridate.
What is the SMILES notation for chloroethene;ethenyl carbonochloridate?
The canonical SMILES for chloroethene;ethenyl carbonochloridate is C=CCl.C=COC(=O)Cl.
What is the InChIKey of chloroethene;ethenyl carbonochloridate?
The InChIKey is HAQPJKXTKQXDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClO2.C2H3Cl/c1-2-6-3(4)5;1-2-3/h2H,1H2;2H,1H2.
What are the key properties of chloroethene;ethenyl carbonochloridate?
chloroethene;ethenyl carbonochloridate has a molecular weight of 169.01 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;ethenyl carbonochloridate is sourced from PubChem (CID 20503955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).