[(Z)-2-chloroethenyl] 2-chloroacetate

C4H4Cl2O2 — CID 13201921

IUPAC[(Z)-2-chloroethenyl] 2-chloroacetate
SMILESO=C(CCl)O/C=C\Cl
InChIInChI=1S/C4H4Cl2O2/c5-1-2-8-4(7)3-6/h1-2H,3H2/b2-1-
InChIKeyBTVGPEDNXMYONJ-UPHRSURJSA-N
MW154.98 g/mol
LogP1.48
Rot. Bonds2

About [(Z)-2-chloroethenyl] 2-chloroacetate

[(Z)-2-chloroethenyl] 2-chloroacetate (PubChem CID 13201921) has the molecular formula C4H4Cl2O2 and a molecular weight of 154.98 g/mol. Its IUPAC name is [(Z)-2-chloroethenyl] 2-chloroacetate.

Molecular Properties

Compound Name[(Z)-2-chloroethenyl] 2-chloroacetate
PubChem CID13201921
Molecular FormulaC4H4Cl2O2
Molecular Weight154.98 g/mol
Exact Mass153.96
IUPAC Name[(Z)-2-chloroethenyl] 2-chloroacetate
SMILESO=C(CCl)O/C=C\Cl
InChIInChI=1S/C4H4Cl2O2/c5-1-2-8-4(7)3-6/h1-2H,3H2/b2-1-
InChIKeyBTVGPEDNXMYONJ-UPHRSURJSA-N
XLogP1.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.98
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-chloroethenyl] 2-chloroacetate?
The IUPAC name of [(Z)-2-chloroethenyl] 2-chloroacetate (CID 13201921) is [(Z)-2-chloroethenyl] 2-chloroacetate.
What is the SMILES notation for [(Z)-2-chloroethenyl] 2-chloroacetate?
The canonical SMILES for [(Z)-2-chloroethenyl] 2-chloroacetate is O=C(CCl)O/C=C\Cl.
What is the InChIKey of [(Z)-2-chloroethenyl] 2-chloroacetate?
The InChIKey is BTVGPEDNXMYONJ-UPHRSURJSA-N. The full InChI is InChI=1S/C4H4Cl2O2/c5-1-2-8-4(7)3-6/h1-2H,3H2/b2-1-.
What are the key properties of [(Z)-2-chloroethenyl] 2-chloroacetate?
[(Z)-2-chloroethenyl] 2-chloroacetate has a molecular weight of 154.98 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-chloroethenyl] 2-chloroacetate is sourced from PubChem (CID 13201921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).