[(1-chloro-1-hydroxyethyl)-chlorooxyphosphoryl] hypochlorite

C2H4Cl3O4P — CID 139683741

IUPAC[(1-chloro-1-hydroxyethyl)-chlorooxyphosphoryl] hypochlorite
SMILESCC(O)(Cl)P(=O)(OCl)OCl
InChIInChI=1S/C2H4Cl3O4P/c1-2(3,6)10(7,8-4)9-5/h6H,1H3
InChIKeyFSKWXXLUUOALBQ-UHFFFAOYSA-N
MW229.38 g/mol
LogP2.43
Rot. Bonds3

About [(1-chloro-1-hydroxyethyl)-chlorooxyphosphoryl] hypochlorite

[(1-chloro-1-hydroxyethyl)-chlorooxyphosphoryl] hypochlorite (PubChem CID 139683741) has the molecular formula C2H4Cl3O4P and a molecular weight of 229.38 g/mol. Its IUPAC name is [(1-chloro-1-hydroxyethyl)-chlorooxyphosphoryl] hypochlorite.

Molecular Properties

Compound Name[(1-chloro-1-hydroxyethyl)-chlorooxyphosphoryl] hypochlorite
PubChem CID139683741
Molecular FormulaC2H4Cl3O4P
Molecular Weight229.38 g/mol
Exact Mass227.89
IUPAC Name[(1-chloro-1-hydroxyethyl)-chlorooxyphosphoryl] hypochlorite
SMILESCC(O)(Cl)P(=O)(OCl)OCl
InChIInChI=1S/C2H4Cl3O4P/c1-2(3,6)10(7,8-4)9-5/h6H,1H3
InChIKeyFSKWXXLUUOALBQ-UHFFFAOYSA-N
XLogP2.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(1,1,1-trichloro-2-methylpropan-2-ol);hydrate
CID 5284505
1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane
CID 19814535
(1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite
CID 87186998
methyl hypochlorite;phosphoric acid
CID 175163315
butane-2,2,3,3-tetrol;phosphoric acid
CID 172831212
[chlorooxy(methyl)phosphoryl] hypochlorite
CID 23175688
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
acetic acid;chloro(trifluoro)methane
CID 88651424
chloro(chlorooxy)phosphinic acid;phosphoric acid
CID 158658993
1,1,2-trichloropropane-1,2-diol
CID 87301844
CID 155675070
CID 155675070
3-chloro-2-diethoxyphosphorylbutan-2-ol
CID 12591813

Frequently Asked Questions

What is the IUPAC name of [(1-chloro-1-hydroxyethyl)-chlorooxyphosphoryl] hypochlorite?
The IUPAC name of [(1-chloro-1-hydroxyethyl)-chlorooxyphosphoryl] hypochlorite (CID 139683741) is [(1-chloro-1-hydroxyethyl)-chlorooxyphosphoryl] hypochlorite.
What is the SMILES notation for [(1-chloro-1-hydroxyethyl)-chlorooxyphosphoryl] hypochlorite?
The canonical SMILES for [(1-chloro-1-hydroxyethyl)-chlorooxyphosphoryl] hypochlorite is CC(O)(Cl)P(=O)(OCl)OCl.
What is the InChIKey of [(1-chloro-1-hydroxyethyl)-chlorooxyphosphoryl] hypochlorite?
The InChIKey is FSKWXXLUUOALBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl3O4P/c1-2(3,6)10(7,8-4)9-5/h6H,1H3.
What are the key properties of [(1-chloro-1-hydroxyethyl)-chlorooxyphosphoryl] hypochlorite?
[(1-chloro-1-hydroxyethyl)-chlorooxyphosphoryl] hypochlorite has a molecular weight of 229.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-chloro-1-hydroxyethyl)-chlorooxyphosphoryl] hypochlorite is sourced from PubChem (CID 139683741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).