bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+)

C30H20F2Ti — CID 161430637

IUPACbis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+)
SMILESFc1ccc(-c2cc3ccccc3[cH-]2)cc1.Fc1ccc(-c2cc3ccccc3[cH-]2)cc1.[Ti+2]
InChIInChI=1S/2C15H10F.Ti/c2*16-15-7-5-11(6-8-15)14-9-12-3-1-2-4-13(12)10-14;/h2*1-10H;/q2*-1;+2
InChIKeyVXYPIJBIKXBCAL-UHFFFAOYSA-N
MW466.35 g/mol
LogP8.73
Rot. Bonds2

About bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+)

bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+) (PubChem CID 161430637) has the molecular formula C30H20F2Ti and a molecular weight of 466.35 g/mol. Its IUPAC name is bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+).

Molecular Properties

Compound Namebis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+)
PubChem CID161430637
Molecular FormulaC30H20F2Ti
Molecular Weight466.35 g/mol
Exact Mass466.10
IUPAC Namebis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+)
SMILESFc1ccc(-c2cc3ccccc3[cH-]2)cc1.Fc1ccc(-c2cc3ccccc3[cH-]2)cc1.[Ti+2]
InChIInChI=1S/2C15H10F.Ti/c2*16-15-7-5-11(6-8-15)14-9-12-3-1-2-4-13(12)10-14;/h2*1-10H;/q2*-1;+2
InChIKeyVXYPIJBIKXBCAL-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.35
LogP ≤ 58.73
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 bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+)?
The IUPAC name of bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+) (CID 161430637) is bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+).
What is the SMILES notation for bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+)?
The canonical SMILES for bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+) is Fc1ccc(-c2cc3ccccc3[cH-]2)cc1.Fc1ccc(-c2cc3ccccc3[cH-]2)cc1.[Ti+2].
What is the InChIKey of bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+)?
The InChIKey is VXYPIJBIKXBCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H10F.Ti/c2*16-15-7-5-11(6-8-15)14-9-12-3-1-2-4-13(12)10-14;/h2*1-10H;/q2*-1;+2.
What are the key properties of bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+)?
bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+) has a molecular weight of 466.35 g/mol, XLogP of 8.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+) is sourced from PubChem (CID 161430637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).