hydroperoxymethane;titanium(3+);trichloride

CH4Cl3O2Ti — CID 159969789

IUPAChydroperoxymethane;titanium(3+);trichloride
SMILESCOO.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/CH4O2.3ClH.Ti/c1-3-2;;;;/h2H,1H3;3*1H;/q;;;;+3/p-3
InChIKeyZGGHGDABZBYNMS-UHFFFAOYSA-K
MW202.27 g/mol
LogP-8.88
Rot. Bonds

About hydroperoxymethane;titanium(3+);trichloride

hydroperoxymethane;titanium(3+);trichloride (PubChem CID 159969789) has the molecular formula CH4Cl3O2Ti and a molecular weight of 202.27 g/mol. Its IUPAC name is hydroperoxymethane;titanium(3+);trichloride.

Molecular Properties

Compound Namehydroperoxymethane;titanium(3+);trichloride
PubChem CID159969789
Molecular FormulaCH4Cl3O2Ti
Molecular Weight202.27 g/mol
Exact Mass200.88
IUPAC Namehydroperoxymethane;titanium(3+);trichloride
SMILESCOO.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/CH4O2.3ClH.Ti/c1-3-2;;;;/h2H,1H3;3*1H;/q;;;;+3/p-3
InChIKeyZGGHGDABZBYNMS-UHFFFAOYSA-K
XLogP-8.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 5-8.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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CID 158889848
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Frequently Asked Questions

What is the IUPAC name of hydroperoxymethane;titanium(3+);trichloride?
The IUPAC name of hydroperoxymethane;titanium(3+);trichloride (CID 159969789) is hydroperoxymethane;titanium(3+);trichloride.
What is the SMILES notation for hydroperoxymethane;titanium(3+);trichloride?
The canonical SMILES for hydroperoxymethane;titanium(3+);trichloride is COO.[Cl-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of hydroperoxymethane;titanium(3+);trichloride?
The InChIKey is ZGGHGDABZBYNMS-UHFFFAOYSA-K. The full InChI is InChI=1S/CH4O2.3ClH.Ti/c1-3-2;;;;/h2H,1H3;3*1H;/q;;;;+3/p-3.
What are the key properties of hydroperoxymethane;titanium(3+);trichloride?
hydroperoxymethane;titanium(3+);trichloride has a molecular weight of 202.27 g/mol, XLogP of -8.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxymethane;titanium(3+);trichloride is sourced from PubChem (CID 159969789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).