(1-chloro-1-oxopropan-2-yl) 2-chlorooxyacetate

C5H6Cl2O4 — CID 162471340

IUPAC(1-chloro-1-oxopropan-2-yl) 2-chlorooxyacetate
SMILESCC(OC(=O)COCl)C(=O)Cl
InChIInChI=1S/C5H6Cl2O4/c1-3(5(6)9)11-4(8)2-10-7/h3H,2H2,1H3
InChIKeyRFPZMLVTYLSMIV-UHFFFAOYSA-N
MW201.00 g/mol
LogP0.85
Rot. Bonds4

About (1-chloro-1-oxopropan-2-yl) 2-chlorooxyacetate

(1-chloro-1-oxopropan-2-yl) 2-chlorooxyacetate (PubChem CID 162471340) has the molecular formula C5H6Cl2O4 and a molecular weight of 201.00 g/mol. Its IUPAC name is (1-chloro-1-oxopropan-2-yl) 2-chlorooxyacetate.

Molecular Properties

Compound Name(1-chloro-1-oxopropan-2-yl) 2-chlorooxyacetate
PubChem CID162471340
Molecular FormulaC5H6Cl2O4
Molecular Weight201.00 g/mol
Exact Mass199.96
IUPAC Name(1-chloro-1-oxopropan-2-yl) 2-chlorooxyacetate
SMILESCC(OC(=O)COCl)C(=O)Cl
InChIInChI=1S/C5H6Cl2O4/c1-3(5(6)9)11-4(8)2-10-7/h3H,2H2,1H3
InChIKeyRFPZMLVTYLSMIV-UHFFFAOYSA-N
XLogP0.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.00
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-chloro-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 18639920
(4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate
CID 126705697
2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate
CID 159353149
propan-2-yl 2-methoxycarbonyloxyacetate
CID 139642714
(1-chloro-1-oxopropan-2-yl) formate
CID 89290637
pentan-2-yl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
CID 91691726
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 87160018
2-(4-ethoxyphenoxy)propanoyl chloride
CID 82041126
propan-2-yl 4-chloro-4-oxobutanoate
CID 15209176
[2-oxo-2-(3-oxobutan-2-yloxy)ethyl] 2-[(2-methylpropan-2-yl)oxy]propanoate
CID 158535072
(2S)-2-acetyloxypropanoate
CID 40784882
propan-2-yl carbonochloridate
CID 7917

Frequently Asked Questions

What is the IUPAC name of (1-chloro-1-oxopropan-2-yl) 2-chlorooxyacetate?
The IUPAC name of (1-chloro-1-oxopropan-2-yl) 2-chlorooxyacetate (CID 162471340) is (1-chloro-1-oxopropan-2-yl) 2-chlorooxyacetate.
What is the SMILES notation for (1-chloro-1-oxopropan-2-yl) 2-chlorooxyacetate?
The canonical SMILES for (1-chloro-1-oxopropan-2-yl) 2-chlorooxyacetate is CC(OC(=O)COCl)C(=O)Cl.
What is the InChIKey of (1-chloro-1-oxopropan-2-yl) 2-chlorooxyacetate?
The InChIKey is RFPZMLVTYLSMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2O4/c1-3(5(6)9)11-4(8)2-10-7/h3H,2H2,1H3.
What are the key properties of (1-chloro-1-oxopropan-2-yl) 2-chlorooxyacetate?
(1-chloro-1-oxopropan-2-yl) 2-chlorooxyacetate has a molecular weight of 201.00 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-1-oxopropan-2-yl) 2-chlorooxyacetate is sourced from PubChem (CID 162471340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).