(1-chloro-2-hydroxyethyl) hypochlorite

C2H4Cl2O2 — CID 156767901

IUPAC(1-chloro-2-hydroxyethyl) hypochlorite
SMILESOCC(Cl)OCl
InChIInChI=1S/C2H4Cl2O2/c3-2(1-5)6-4/h2,5H,1H2
InChIKeyYACTVXSFEPOVLC-UHFFFAOYSA-N
MW130.96 g/mol
LogP0.71
Rot. Bonds2

About (1-chloro-2-hydroxyethyl) hypochlorite

(1-chloro-2-hydroxyethyl) hypochlorite (PubChem CID 156767901) has the molecular formula C2H4Cl2O2 and a molecular weight of 130.96 g/mol. Its IUPAC name is (1-chloro-2-hydroxyethyl) hypochlorite.

Molecular Properties

Compound Name(1-chloro-2-hydroxyethyl) hypochlorite
PubChem CID156767901
Molecular FormulaC2H4Cl2O2
Molecular Weight130.96 g/mol
Exact Mass129.96
IUPAC Name(1-chloro-2-hydroxyethyl) hypochlorite
SMILESOCC(Cl)OCl
InChIInChI=1S/C2H4Cl2O2/c3-2(1-5)6-4/h2,5H,1H2
InChIKeyYACTVXSFEPOVLC-UHFFFAOYSA-N
XLogP0.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.96
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-chloro-2-hydroxyethyl) hypochlorite?
The IUPAC name of (1-chloro-2-hydroxyethyl) hypochlorite (CID 156767901) is (1-chloro-2-hydroxyethyl) hypochlorite.
What is the SMILES notation for (1-chloro-2-hydroxyethyl) hypochlorite?
The canonical SMILES for (1-chloro-2-hydroxyethyl) hypochlorite is OCC(Cl)OCl.
What is the InChIKey of (1-chloro-2-hydroxyethyl) hypochlorite?
The InChIKey is YACTVXSFEPOVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2O2/c3-2(1-5)6-4/h2,5H,1H2.
What are the key properties of (1-chloro-2-hydroxyethyl) hypochlorite?
(1-chloro-2-hydroxyethyl) hypochlorite has a molecular weight of 130.96 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2-hydroxyethyl) hypochlorite is sourced from PubChem (CID 156767901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).