1-chloroethenyl 2-chloroacetate

C4H4Cl2O2 — CID 174342485

IUPAC1-chloroethenyl 2-chloroacetate
SMILESC=C(Cl)OC(=O)CCl
InChIInChI=1S/C4H4Cl2O2/c1-3(6)8-4(7)2-5/h1-2H2
InChIKeyNGMLFMGLGJKTCJ-UHFFFAOYSA-N
MW154.98 g/mol
LogP1.48
Rot. Bonds2

About 1-chloroethenyl 2-chloroacetate

1-chloroethenyl 2-chloroacetate (PubChem CID 174342485) has the molecular formula C4H4Cl2O2 and a molecular weight of 154.98 g/mol. Its IUPAC name is 1-chloroethenyl 2-chloroacetate.

Molecular Properties

Compound Name1-chloroethenyl 2-chloroacetate
PubChem CID174342485
Molecular FormulaC4H4Cl2O2
Molecular Weight154.98 g/mol
Exact Mass153.96
IUPAC Name1-chloroethenyl 2-chloroacetate
SMILESC=C(Cl)OC(=O)CCl
InChIInChI=1S/C4H4Cl2O2/c1-3(6)8-4(7)2-5/h1-2H2
InChIKeyNGMLFMGLGJKTCJ-UHFFFAOYSA-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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Related Compounds

(2-chloroacetyl) 2-chloroacetate
CID 10946
acetyl acetate;(2-chloroacetyl) 2-chloroacetate
CID 88728166
1-chloroethenyl dodecanoate
CID 11149641
chloro 2-chloroethaneperoxoate
CID 87091274
1-phenylethenyl 2-chloroacetate
CID 13032777
(2-chloroacetyl) 2-oxopropanoate;oxovanadium
CID 174382634
ethylcarbamoyl 2-chloroacetate
CID 91082001
bis(2-chloroacetyl) (2S)-2-aminobutanedioate
CID 57149037
trimethylplumbyl 2-chloroacetate
CID 16683416
nitro 2-chloroethaneperoxoate
CID 55298204
ethyl 2-chloroacetate
CID 7751
2-chloroacetyl chloride;silane
CID 174549758

Frequently Asked Questions

What is the IUPAC name of 1-chloroethenyl 2-chloroacetate?
The IUPAC name of 1-chloroethenyl 2-chloroacetate (CID 174342485) is 1-chloroethenyl 2-chloroacetate.
What is the SMILES notation for 1-chloroethenyl 2-chloroacetate?
The canonical SMILES for 1-chloroethenyl 2-chloroacetate is C=C(Cl)OC(=O)CCl.
What is the InChIKey of 1-chloroethenyl 2-chloroacetate?
The InChIKey is NGMLFMGLGJKTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2O2/c1-3(6)8-4(7)2-5/h1-2H2.
What are the key properties of 1-chloroethenyl 2-chloroacetate?
1-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 1-chloroethenyl 2-chloroacetate is sourced from PubChem (CID 174342485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).