hafnium;3-methyl-1H-inden-1-ide;dichloride

C10H9Cl2Hf-3 — CID 89420354

IUPAChafnium;3-methyl-1H-inden-1-ide;dichloride
SMILESCc1c[cH-]c2ccccc12.[Cl-].[Cl-].[Hf]
InChIInChI=1S/C10H9.2ClH.Hf/c1-8-6-7-9-4-2-3-5-10(8)9;;;/h2-7H,1H3;2*1H;/q-1;;;/p-2
InChIKeyKYNOXEIWUGWJAQ-UHFFFAOYSA-L
MW378.58 g/mol
LogP-3.13
Rot. Bonds

About hafnium;3-methyl-1H-inden-1-ide;dichloride

hafnium;3-methyl-1H-inden-1-ide;dichloride (PubChem CID 89420354) has the molecular formula C10H9Cl2Hf-3 and a molecular weight of 378.58 g/mol. Its IUPAC name is hafnium;3-methyl-1H-inden-1-ide;dichloride.

Molecular Properties

Compound Namehafnium;3-methyl-1H-inden-1-ide;dichloride
PubChem CID89420354
Molecular FormulaC10H9Cl2Hf-3
Molecular Weight378.58 g/mol
Exact Mass378.96
IUPAC Namehafnium;3-methyl-1H-inden-1-ide;dichloride
SMILESCc1c[cH-]c2ccccc12.[Cl-].[Cl-].[Hf]
InChIInChI=1S/C10H9.2ClH.Hf/c1-8-6-7-9-4-2-3-5-10(8)9;;;/h2-7H,1H3;2*1H;/q-1;;;/p-2
InChIKeyKYNOXEIWUGWJAQ-UHFFFAOYSA-L
XLogP-3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.58
LogP ≤ 5-3.13
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 hafnium;3-methyl-1H-inden-1-ide;dichloride?
The IUPAC name of hafnium;3-methyl-1H-inden-1-ide;dichloride (CID 89420354) is hafnium;3-methyl-1H-inden-1-ide;dichloride.
What is the SMILES notation for hafnium;3-methyl-1H-inden-1-ide;dichloride?
The canonical SMILES for hafnium;3-methyl-1H-inden-1-ide;dichloride is Cc1c[cH-]c2ccccc12.[Cl-].[Cl-].[Hf].
What is the InChIKey of hafnium;3-methyl-1H-inden-1-ide;dichloride?
The InChIKey is KYNOXEIWUGWJAQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9.2ClH.Hf/c1-8-6-7-9-4-2-3-5-10(8)9;;;/h2-7H,1H3;2*1H;/q-1;;;/p-2.
What are the key properties of hafnium;3-methyl-1H-inden-1-ide;dichloride?
hafnium;3-methyl-1H-inden-1-ide;dichloride has a molecular weight of 378.58 g/mol, XLogP of -3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;3-methyl-1H-inden-1-ide;dichloride is sourced from PubChem (CID 89420354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).