2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride

C16H10Cl2F3Zr — CID 23216291

IUPAC2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride
SMILESFC(F)(F)c1ccc(-c2cc3ccccc3[cH-]2)cc1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C16H10F3.2ClH.Zr/c17-16(18,19)15-7-5-11(6-8-15)14-9-12-3-1-2-4-13(12)10-14;;;/h1-10H;2*1H;/q-1;;;+3/p-2
InChIKeyWOHXUOBQYZQPLC-UHFFFAOYSA-L
MW421.38 g/mol
LogP-0.75
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride

2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride (PubChem CID 23216291) has the molecular formula C16H10Cl2F3Zr and a molecular weight of 421.38 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride
PubChem CID23216291
Molecular FormulaC16H10Cl2F3Zr
Molecular Weight421.38 g/mol
Exact Mass418.92
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride
SMILESFC(F)(F)c1ccc(-c2cc3ccccc3[cH-]2)cc1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C16H10F3.2ClH.Zr/c17-16(18,19)15-7-5-11(6-8-15)14-9-12-3-1-2-4-13(12)10-14;;;/h1-10H;2*1H;/q-1;;;+3/p-2
InChIKeyWOHXUOBQYZQPLC-UHFFFAOYSA-L
XLogP-0.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 5-0.75
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

bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+)
CID 161430637
tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 22283856
bis(2-(3,5-dimethylphenyl)-1H-inden-1-ide);zirconium(4+);dichloride
CID 87971540
dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride
CID 87100881
ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide)
CID 173282953
2-[3,5-bis(trifluoromethyl)phenyl]-1H-inden-1-ide;2-[3,5-bis(trifluoromethyl)phenyl]-1-methylinden-1-ide;dichlorozirconium(2+)
CID 12010630
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
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2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652
dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride
CID 18369835
tetrakis(2-(1H-inden-1-id-2-yl)thiophene);bis(titanium(2+));dichloride
CID 18008380
2-[4-(trifluoromethyl)phenyl]benzo[f]isoquinoline
CID 59470271
1-benzyl-2-(3,5-ditert-butylphenyl)-1,3-dihydroinden-3-ide;2-[3,5-bis(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(4+);dichloride
CID 18406165

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride (CID 23216291) is 2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride is FC(F)(F)c1ccc(-c2cc3ccccc3[cH-]2)cc1.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride?
The InChIKey is WOHXUOBQYZQPLC-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H10F3.2ClH.Zr/c17-16(18,19)15-7-5-11(6-8-15)14-9-12-3-1-2-4-13(12)10-14;;;/h1-10H;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride?
2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride has a molecular weight of 421.38 g/mol, XLogP of -0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride is sourced from PubChem (CID 23216291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).