1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride

C13H9F3Ti — CID 173097726

IUPAC1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
SMILES[F-].[F-].[F-].[Ti+4].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.3FH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h1-5,7-8H,9H2;3*1H;/q-1;;;;+4/p-3
InChIKeyRJXZLXVSFUMNKI-UHFFFAOYSA-K
MW270.08 g/mol
LogP-5.93
Rot. Bonds

About 1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride

1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride (PubChem CID 173097726) has the molecular formula C13H9F3Ti and a molecular weight of 270.08 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride.

Molecular Properties

Compound Name1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
PubChem CID173097726
Molecular FormulaC13H9F3Ti
Molecular Weight270.08 g/mol
Exact Mass270.01
IUPAC Name1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
SMILES[F-].[F-].[F-].[Ti+4].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.3FH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h1-5,7-8H,9H2;3*1H;/q-1;;;;+4/p-3
InChIKeyRJXZLXVSFUMNKI-UHFFFAOYSA-K
XLogP-5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 5-5.93
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(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
CID 173097773
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323
CID 154493054
CID 154493054
butane;1,9-dihydrofluoren-1-ide;titanium(4+)
CID 150363800
bis(1,9-dihydrofluoren-1-ide);dimethylgermylidenezirconium(2+);dichloride
CID 159771388
carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium
CID 173275196
CID 159626377
CID 159626377
dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide)
CID 87137061
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;methylidenehafnium(2+);dichloride
CID 161299506

Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride?
The IUPAC name of 1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride (CID 173097726) is 1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride.
What is the SMILES notation for 1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride?
The canonical SMILES for 1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride is [F-].[F-].[F-].[Ti+4].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride?
The InChIKey is RJXZLXVSFUMNKI-UHFFFAOYSA-K. The full InChI is InChI=1S/C13H9.3FH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h1-5,7-8H,9H2;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride?
1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride has a molecular weight of 270.08 g/mol, XLogP of -5.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride is sourced from PubChem (CID 173097726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).