hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride

C10H9F2Hf-3 — CID 158792609

IUPAChafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride
SMILESCC1[C-]=Cc2ccccc21.[F-].[F-].[Hf]
InChIInChI=1S/C10H9.2FH.Hf/c1-8-6-7-9-4-2-3-5-10(8)9;;;/h2-5,7-8H,1H3;2*1H;/q-1;;;/p-2
InChIKeyLOVBBILMLYNZPD-UHFFFAOYSA-L
MW345.67 g/mol
LogP-3.37
Rot. Bonds

About hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride

hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride (PubChem CID 158792609) has the molecular formula C10H9F2Hf-3 and a molecular weight of 345.67 g/mol. Its IUPAC name is hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride.

Molecular Properties

Compound Namehafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride
PubChem CID158792609
Molecular FormulaC10H9F2Hf-3
Molecular Weight345.67 g/mol
Exact Mass347.02
IUPAC Namehafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride
SMILESCC1[C-]=Cc2ccccc21.[F-].[F-].[Hf]
InChIInChI=1S/C10H9.2FH.Hf/c1-8-6-7-9-4-2-3-5-10(8)9;;;/h2-5,7-8H,1H3;2*1H;/q-1;;;/p-2
InChIKeyLOVBBILMLYNZPD-UHFFFAOYSA-L
XLogP-3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 5-3.37
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;1-methyl-1,2-dihydroinden-2-ide;difluoride?
The IUPAC name of hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride (CID 158792609) is hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride.
What is the SMILES notation for hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride?
The canonical SMILES for hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride is CC1[C-]=Cc2ccccc21.[F-].[F-].[Hf].
What is the InChIKey of hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride?
The InChIKey is LOVBBILMLYNZPD-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9.2FH.Hf/c1-8-6-7-9-4-2-3-5-10(8)9;;;/h2-5,7-8H,1H3;2*1H;/q-1;;;/p-2.
What are the key properties of hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride?
hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride has a molecular weight of 345.67 g/mol, XLogP of -3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride is sourced from PubChem (CID 158792609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).