4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride

C9H11F3Zr — CID 158723786

IUPAC4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride
SMILES[F-].[F-].[F-].[Zr+4].c1cc2c([cH-]1)CCCC2
InChIInChI=1S/C9H11.3FH.Zr/c1-2-5-9-7-3-6-8(9)4-1;;;;/h3,6-7H,1-2,4-5H2;3*1H;/q-1;;;;+4/p-3
InChIKeyUUTGLSMBEQEWFW-UHFFFAOYSA-K
MW267.40 g/mol
LogP-6.71
Rot. Bonds

About 4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride

4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride (PubChem CID 158723786) has the molecular formula C9H11F3Zr and a molecular weight of 267.40 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride
PubChem CID158723786
Molecular FormulaC9H11F3Zr
Molecular Weight267.40 g/mol
Exact Mass265.99
IUPAC Name4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride
SMILES[F-].[F-].[F-].[Zr+4].c1cc2c([cH-]1)CCCC2
InChIInChI=1S/C9H11.3FH.Zr/c1-2-5-9-7-3-6-8(9)4-1;;;;/h3,6-7H,1-2,4-5H2;3*1H;/q-1;;;;+4/p-3
InChIKeyUUTGLSMBEQEWFW-UHFFFAOYSA-K
XLogP-6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 5-6.71
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

4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);tribromide
CID 162221677
4,5,6,7-tetrahydro-1H-inden-1-ide
CID 11987054
hafnium(4+);bis(4,5,6,7-tetrahydro-1H-inden-1-ide)
CID 22633752
hafnium(4+);4,5,6,7-tetrahydro-1H-inden-1-ide
CID 18172278
bis(4,5,6,7-tetrahydro-1H-inden-1-ide);zirconium(2+);hydrochloride
CID 19352953
4,5,6,7-tetrahydro-1H-inden-1-ide;tribromotitanium(1+)
CID 87518890
ethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide
CID 172713448
methanolate;4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(3+)
CID 88655285
CID 154825490
CID 154825490
dichloro(propan-2-ylidene)zirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide)
CID 173129694
chlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide
CID 88524324
methanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride
CID 173133656

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride?
The IUPAC name of 4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride (CID 158723786) is 4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride is [F-].[F-].[F-].[Zr+4].c1cc2c([cH-]1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride?
The InChIKey is UUTGLSMBEQEWFW-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H11.3FH.Zr/c1-2-5-9-7-3-6-8(9)4-1;;;;/h3,6-7H,1-2,4-5H2;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride?
4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride has a molecular weight of 267.40 g/mol, XLogP of -6.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-inden-1-ide;zirconium(4+);trifluoride is sourced from PubChem (CID 158723786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).