2-benzyl-1H-inden-1-ide;titanium(3+);difluoride

C16H13F2Ti — CID 174711331

IUPAC2-benzyl-1H-inden-1-ide;titanium(3+);difluoride
SMILES[F-].[F-].[Ti+3].c1ccc(Cc2cc3ccccc3[cH-]2)cc1
InChIInChI=1S/C16H13.2FH.Ti/c1-2-6-13(7-3-1)10-14-11-15-8-4-5-9-16(15)12-14;;;/h1-9,11-12H,10H2;2*1H;/q-1;;;+3/p-2
InChIKeyRHNBFVGFYJNZBS-UHFFFAOYSA-L
MW291.14 g/mol
LogP-1.85
Rot. Bonds2

About 2-benzyl-1H-inden-1-ide;titanium(3+);difluoride

2-benzyl-1H-inden-1-ide;titanium(3+);difluoride (PubChem CID 174711331) has the molecular formula C16H13F2Ti and a molecular weight of 291.14 g/mol. Its IUPAC name is 2-benzyl-1H-inden-1-ide;titanium(3+);difluoride.

Molecular Properties

Compound Name2-benzyl-1H-inden-1-ide;titanium(3+);difluoride
PubChem CID174711331
Molecular FormulaC16H13F2Ti
Molecular Weight291.14 g/mol
Exact Mass291.05
IUPAC Name2-benzyl-1H-inden-1-ide;titanium(3+);difluoride
SMILES[F-].[F-].[Ti+3].c1ccc(Cc2cc3ccccc3[cH-]2)cc1
InChIInChI=1S/C16H13.2FH.Ti/c1-2-6-13(7-3-1)10-14-11-15-8-4-5-9-16(15)12-14;;;/h1-9,11-12H,10H2;2*1H;/q-1;;;+3/p-2
InChIKeyRHNBFVGFYJNZBS-UHFFFAOYSA-L
XLogP-1.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 5-1.85
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 2-benzyl-1H-inden-1-ide;titanium(3+);difluoride?
The IUPAC name of 2-benzyl-1H-inden-1-ide;titanium(3+);difluoride (CID 174711331) is 2-benzyl-1H-inden-1-ide;titanium(3+);difluoride.
What is the SMILES notation for 2-benzyl-1H-inden-1-ide;titanium(3+);difluoride?
The canonical SMILES for 2-benzyl-1H-inden-1-ide;titanium(3+);difluoride is [F-].[F-].[Ti+3].c1ccc(Cc2cc3ccccc3[cH-]2)cc1.
What is the InChIKey of 2-benzyl-1H-inden-1-ide;titanium(3+);difluoride?
The InChIKey is RHNBFVGFYJNZBS-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H13.2FH.Ti/c1-2-6-13(7-3-1)10-14-11-15-8-4-5-9-16(15)12-14;;;/h1-9,11-12H,10H2;2*1H;/q-1;;;+3/p-2.
What are the key properties of 2-benzyl-1H-inden-1-ide;titanium(3+);difluoride?
2-benzyl-1H-inden-1-ide;titanium(3+);difluoride has a molecular weight of 291.14 g/mol, XLogP of -1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1H-inden-1-ide;titanium(3+);difluoride is sourced from PubChem (CID 174711331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).