(1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite

C3H4Cl4O2 — CID 87186998

IUPAC(1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite
SMILESCC(Cl)(OCl)C(O)(Cl)Cl
InChIInChI=1S/C3H4Cl4O2/c1-2(4,9-7)3(5,6)8/h8H,1H3
InChIKeyWDRUFOQOBOZDRZ-UHFFFAOYSA-N
MW213.88 g/mol
LogP2.24
Rot. Bonds2

About (1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite

(1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite (PubChem CID 87186998) has the molecular formula C3H4Cl4O2 and a molecular weight of 213.88 g/mol. Its IUPAC name is (1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite.

Molecular Properties

Compound Name(1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite
PubChem CID87186998
Molecular FormulaC3H4Cl4O2
Molecular Weight213.88 g/mol
Exact Mass211.90
IUPAC Name(1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite
SMILESCC(Cl)(OCl)C(O)(Cl)Cl
InChIInChI=1S/C3H4Cl4O2/c1-2(4,9-7)3(5,6)8/h8H,1H3
InChIKeyWDRUFOQOBOZDRZ-UHFFFAOYSA-N
XLogP2.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.88
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,1,2,2,2-pentachloroethanol
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bis(1,1,1-trichloro-2-methylpropan-2-ol);hydrate
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1,1-dichloro-1-hydroperoxyethane
CID 13297790
2-methyl-1-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]propan-2-ol
CID 111336122
(1R)-1-bromo-1-[2-[(1R)-1-bromo-1-hydroxyethoxy]ethoxy]ethanol
CID 97049641
2,5-dichlorohexane-2,5-diol
CID 151144167
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
CID 123858699

Frequently Asked Questions

What is the IUPAC name of (1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite?
The IUPAC name of (1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite (CID 87186998) is (1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite.
What is the SMILES notation for (1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite?
The canonical SMILES for (1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite is CC(Cl)(OCl)C(O)(Cl)Cl.
What is the InChIKey of (1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite?
The InChIKey is WDRUFOQOBOZDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl4O2/c1-2(4,9-7)3(5,6)8/h8H,1H3.
What are the key properties of (1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite?
(1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite has a molecular weight of 213.88 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2-trichloro-1-hydroxypropan-2-yl) hypochlorite is sourced from PubChem (CID 87186998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).