1-ethylinden-1-ide;hafnium;dihydrochloride

C11H13Cl2Hf- — CID 174700662

IUPAC1-ethylinden-1-ide;hafnium;dihydrochloride
SMILESCC[c-]1ccc2ccccc21.Cl.Cl.[Hf]
InChIInChI=1S/C11H11.2ClH.Hf/c1-2-9-7-8-10-5-3-4-6-11(9)10;;;/h3-8H,2H2,1H3;2*1H;/q-1;;;
InChIKeyCTKAFSRAKFZLIN-UHFFFAOYSA-N
MW394.62 g/mol
LogP3.96
Rot. Bonds1

About 1-ethylinden-1-ide;hafnium;dihydrochloride

1-ethylinden-1-ide;hafnium;dihydrochloride (PubChem CID 174700662) has the molecular formula C11H13Cl2Hf- and a molecular weight of 394.62 g/mol. Its IUPAC name is 1-ethylinden-1-ide;hafnium;dihydrochloride.

Molecular Properties

Compound Name1-ethylinden-1-ide;hafnium;dihydrochloride
PubChem CID174700662
Molecular FormulaC11H13Cl2Hf-
Molecular Weight394.62 g/mol
Exact Mass394.99
IUPAC Name1-ethylinden-1-ide;hafnium;dihydrochloride
SMILESCC[c-]1ccc2ccccc21.Cl.Cl.[Hf]
InChIInChI=1S/C11H11.2ClH.Hf/c1-2-9-7-8-10-5-3-4-6-11(9)10;;;/h3-8H,2H2,1H3;2*1H;/q-1;;;
InChIKeyCTKAFSRAKFZLIN-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.62
LogP ≤ 53.96
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 1-ethylinden-1-ide;hafnium;dihydrochloride?
The IUPAC name of 1-ethylinden-1-ide;hafnium;dihydrochloride (CID 174700662) is 1-ethylinden-1-ide;hafnium;dihydrochloride.
What is the SMILES notation for 1-ethylinden-1-ide;hafnium;dihydrochloride?
The canonical SMILES for 1-ethylinden-1-ide;hafnium;dihydrochloride is CC[c-]1ccc2ccccc21.Cl.Cl.[Hf].
What is the InChIKey of 1-ethylinden-1-ide;hafnium;dihydrochloride?
The InChIKey is CTKAFSRAKFZLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11.2ClH.Hf/c1-2-9-7-8-10-5-3-4-6-11(9)10;;;/h3-8H,2H2,1H3;2*1H;/q-1;;;.
What are the key properties of 1-ethylinden-1-ide;hafnium;dihydrochloride?
1-ethylinden-1-ide;hafnium;dihydrochloride has a molecular weight of 394.62 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylinden-1-ide;hafnium;dihydrochloride is sourced from PubChem (CID 174700662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).