2-methanidylpropane;zirconium;trihydrochloride

C4H12Cl3Zr- — CID 175005550

IUPAC2-methanidylpropane;zirconium;trihydrochloride
SMILESCl.Cl.Cl.[CH2-]C(C)C.[Zr]
InChIInChI=1S/C4H9.3ClH.Zr/c1-4(2)3;;;;/h4H,1H2,2-3H3;3*1H;/q-1;;;;
InChIKeyGFBZNNNVVBPILY-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.74
Rot. Bonds

About 2-methanidylpropane;zirconium;trihydrochloride

2-methanidylpropane;zirconium;trihydrochloride (PubChem CID 175005550) has the molecular formula C4H12Cl3Zr- and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-methanidylpropane;zirconium;trihydrochloride.

Molecular Properties

Compound Name2-methanidylpropane;zirconium;trihydrochloride
PubChem CID175005550
Molecular FormulaC4H12Cl3Zr-
Molecular Weight257.72 g/mol
Exact Mass254.91
IUPAC Name2-methanidylpropane;zirconium;trihydrochloride
SMILESCl.Cl.Cl.[CH2-]C(C)C.[Zr]
InChIInChI=1S/C4H9.3ClH.Zr/c1-4(2)3;;;;/h4H,1H2,2-3H3;3*1H;/q-1;;;;
InChIKeyGFBZNNNVVBPILY-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methanidylpropane;zirconium;trihydrochloride?
The IUPAC name of 2-methanidylpropane;zirconium;trihydrochloride (CID 175005550) is 2-methanidylpropane;zirconium;trihydrochloride.
What is the SMILES notation for 2-methanidylpropane;zirconium;trihydrochloride?
The canonical SMILES for 2-methanidylpropane;zirconium;trihydrochloride is Cl.Cl.Cl.[CH2-]C(C)C.[Zr].
What is the InChIKey of 2-methanidylpropane;zirconium;trihydrochloride?
The InChIKey is GFBZNNNVVBPILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.3ClH.Zr/c1-4(2)3;;;;/h4H,1H2,2-3H3;3*1H;/q-1;;;;.
What are the key properties of 2-methanidylpropane;zirconium;trihydrochloride?
2-methanidylpropane;zirconium;trihydrochloride has a molecular weight of 257.72 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidylpropane;zirconium;trihydrochloride is sourced from PubChem (CID 175005550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).