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

C9H7F2Ti — CID 87792956

IUPAC1H-inden-1-ide;titanium(3+);difluoride
SMILES[F-].[F-].[Ti+3].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.2FH.Ti/c1-2-5-9-7-3-6-8(9)4-1;;;/h1-7H;2*1H;/q-1;;;+3/p-2
InChIKeyZPTIZMVZSJUVFV-UHFFFAOYSA-L
MW201.02 g/mol
LogP-3.44
Rot. Bonds

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

1H-inden-1-ide;titanium(3+);difluoride (PubChem CID 87792956) has the molecular formula C9H7F2Ti and a molecular weight of 201.02 g/mol. Its IUPAC name is 1H-inden-1-ide;titanium(3+);difluoride.

Molecular Properties

Compound Name1H-inden-1-ide;titanium(3+);difluoride
PubChem CID87792956
Molecular FormulaC9H7F2Ti
Molecular Weight201.02 g/mol
Exact Mass201.00
IUPAC Name1H-inden-1-ide;titanium(3+);difluoride
SMILES[F-].[F-].[Ti+3].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.2FH.Ti/c1-2-5-9-7-3-6-8(9)4-1;;;/h1-7H;2*1H;/q-1;;;+3/p-2
InChIKeyZPTIZMVZSJUVFV-UHFFFAOYSA-L
XLogP-3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 5-3.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1H-inden-1-ide;titanium(3+);difluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-ide;titanium(3+);difluoride?
The IUPAC name of 1H-inden-1-ide;titanium(3+);difluoride (CID 87792956) is 1H-inden-1-ide;titanium(3+);difluoride.
What is the SMILES notation for 1H-inden-1-ide;titanium(3+);difluoride?
The canonical SMILES for 1H-inden-1-ide;titanium(3+);difluoride is [F-].[F-].[Ti+3].c1ccc2[cH-]ccc2c1.
What is the InChIKey of 1H-inden-1-ide;titanium(3+);difluoride?
The InChIKey is ZPTIZMVZSJUVFV-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.2FH.Ti/c1-2-5-9-7-3-6-8(9)4-1;;;/h1-7H;2*1H;/q-1;;;+3/p-2.
What are the key properties of 1H-inden-1-ide;titanium(3+);difluoride?
1H-inden-1-ide;titanium(3+);difluoride has a molecular weight of 201.02 g/mol, XLogP of -3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-ide;titanium(3+);difluoride is sourced from PubChem (CID 87792956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).