bis(2-methylpropanoylazanide);titanium(3+);trichloride

C8H16Cl3N2O2Ti-2 — CID 173341164

IUPACbis(2-methylpropanoylazanide);titanium(3+);trichloride
SMILESCC(C)C([NH-])=O.CC(C)C([NH-])=O.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/2C4H9NO.3ClH.Ti/c2*1-3(2)4(5)6;;;;/h2*3H,1-2H3,(H2,5,6);3*1H;/q;;;;;+3/p-5
InChIKeyWKGVHRHESZRPLY-UHFFFAOYSA-I
MW326.45 g/mol
LogP-6.55
Rot. Bonds2

About bis(2-methylpropanoylazanide);titanium(3+);trichloride

bis(2-methylpropanoylazanide);titanium(3+);trichloride (PubChem CID 173341164) has the molecular formula C8H16Cl3N2O2Ti-2 and a molecular weight of 326.45 g/mol. Its IUPAC name is bis(2-methylpropanoylazanide);titanium(3+);trichloride.

Molecular Properties

Compound Namebis(2-methylpropanoylazanide);titanium(3+);trichloride
PubChem CID173341164
Molecular FormulaC8H16Cl3N2O2Ti-2
Molecular Weight326.45 g/mol
Exact Mass324.98
IUPAC Namebis(2-methylpropanoylazanide);titanium(3+);trichloride
SMILESCC(C)C([NH-])=O.CC(C)C([NH-])=O.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/2C4H9NO.3ClH.Ti/c2*1-3(2)4(5)6;;;;/h2*3H,1-2H3,(H2,5,6);3*1H;/q;;;;;+3/p-5
InChIKeyWKGVHRHESZRPLY-UHFFFAOYSA-I
XLogP-6.55
TPSA81.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 5-6.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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alumane;2-methylpropanoic acid
CID 173068323
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CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
CID 161404788
CID 161404788
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
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CID 23219604

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropanoylazanide);titanium(3+);trichloride?
The IUPAC name of bis(2-methylpropanoylazanide);titanium(3+);trichloride (CID 173341164) is bis(2-methylpropanoylazanide);titanium(3+);trichloride.
What is the SMILES notation for bis(2-methylpropanoylazanide);titanium(3+);trichloride?
The canonical SMILES for bis(2-methylpropanoylazanide);titanium(3+);trichloride is CC(C)C([NH-])=O.CC(C)C([NH-])=O.[Cl-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of bis(2-methylpropanoylazanide);titanium(3+);trichloride?
The InChIKey is WKGVHRHESZRPLY-UHFFFAOYSA-I. The full InChI is InChI=1S/2C4H9NO.3ClH.Ti/c2*1-3(2)4(5)6;;;;/h2*3H,1-2H3,(H2,5,6);3*1H;/q;;;;;+3/p-5.
What are the key properties of bis(2-methylpropanoylazanide);titanium(3+);trichloride?
bis(2-methylpropanoylazanide);titanium(3+);trichloride has a molecular weight of 326.45 g/mol, XLogP of -6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropanoylazanide);titanium(3+);trichloride is sourced from PubChem (CID 173341164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).