1-benzylinden-1-ide;hafnium;dihydrochloride

C16H15Cl2Hf- — CID 174711380

IUPAC1-benzylinden-1-ide;hafnium;dihydrochloride
SMILESCl.Cl.[Hf].c1ccc(C[c-]2ccc3ccccc32)cc1
InChIInChI=1S/C16H13.2ClH.Hf/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15;;;/h1-11H,12H2;2*1H;/q-1;;;
InChIKeyQZOPTIKPYLCFHP-UHFFFAOYSA-N
MW456.69 g/mol
LogP4.99
Rot. Bonds2

About 1-benzylinden-1-ide;hafnium;dihydrochloride

1-benzylinden-1-ide;hafnium;dihydrochloride (PubChem CID 174711380) has the molecular formula C16H15Cl2Hf- and a molecular weight of 456.69 g/mol. Its IUPAC name is 1-benzylinden-1-ide;hafnium;dihydrochloride.

Molecular Properties

Compound Name1-benzylinden-1-ide;hafnium;dihydrochloride
PubChem CID174711380
Molecular FormulaC16H15Cl2Hf-
Molecular Weight456.69 g/mol
Exact Mass457.00
IUPAC Name1-benzylinden-1-ide;hafnium;dihydrochloride
SMILESCl.Cl.[Hf].c1ccc(C[c-]2ccc3ccccc32)cc1
InChIInChI=1S/C16H13.2ClH.Hf/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15;;;/h1-11H,12H2;2*1H;/q-1;;;
InChIKeyQZOPTIKPYLCFHP-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.69
LogP ≤ 54.99
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzylinden-1-ide;hafnium;dihydrochloride?
The IUPAC name of 1-benzylinden-1-ide;hafnium;dihydrochloride (CID 174711380) is 1-benzylinden-1-ide;hafnium;dihydrochloride.
What is the SMILES notation for 1-benzylinden-1-ide;hafnium;dihydrochloride?
The canonical SMILES for 1-benzylinden-1-ide;hafnium;dihydrochloride is Cl.Cl.[Hf].c1ccc(C[c-]2ccc3ccccc32)cc1.
What is the InChIKey of 1-benzylinden-1-ide;hafnium;dihydrochloride?
The InChIKey is QZOPTIKPYLCFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13.2ClH.Hf/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15;;;/h1-11H,12H2;2*1H;/q-1;;;.
What are the key properties of 1-benzylinden-1-ide;hafnium;dihydrochloride?
1-benzylinden-1-ide;hafnium;dihydrochloride has a molecular weight of 456.69 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylinden-1-ide;hafnium;dihydrochloride is sourced from PubChem (CID 174711380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).