1,2,2,2-tetrachloroethyl carbonochloridate

C3HCl5O2 — CID 2733327

IUPAC1,2,2,2-tetrachloroethyl carbonochloridate
SMILESO=C(Cl)OC(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C3HCl5O2/c4-1(3(6,7)8)10-2(5)9/h1H
InChIKeyRINXZIYBNVEZRT-UHFFFAOYSA-N
MW246.30 g/mol
LogP3.30
Rot. Bonds1

About 1,2,2,2-tetrachloroethyl carbonochloridate

1,2,2,2-tetrachloroethyl carbonochloridate (PubChem CID 2733327) has the molecular formula C3HCl5O2 and a molecular weight of 246.30 g/mol. Its IUPAC name is 1,2,2,2-tetrachloroethyl carbonochloridate.

Molecular Properties

Compound Name1,2,2,2-tetrachloroethyl carbonochloridate
PubChem CID2733327
Molecular FormulaC3HCl5O2
Molecular Weight246.30 g/mol
Exact Mass243.84
IUPAC Name1,2,2,2-tetrachloroethyl carbonochloridate
SMILESO=C(Cl)OC(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C3HCl5O2/c4-1(3(6,7)8)10-2(5)9/h1H
InChIKeyRINXZIYBNVEZRT-UHFFFAOYSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2,2,2-tetrachloroethyl 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 1,2,2,2-tetrachloroethyl carbonochloridate?
The IUPAC name of 1,2,2,2-tetrachloroethyl carbonochloridate (CID 2733327) is 1,2,2,2-tetrachloroethyl carbonochloridate.
What is the SMILES notation for 1,2,2,2-tetrachloroethyl carbonochloridate?
The canonical SMILES for 1,2,2,2-tetrachloroethyl carbonochloridate is O=C(Cl)OC(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,2,2,2-tetrachloroethyl carbonochloridate?
The InChIKey is RINXZIYBNVEZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl5O2/c4-1(3(6,7)8)10-2(5)9/h1H.
What are the key properties of 1,2,2,2-tetrachloroethyl carbonochloridate?
1,2,2,2-tetrachloroethyl carbonochloridate has a molecular weight of 246.30 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrachloroethyl carbonochloridate is sourced from PubChem (CID 2733327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).