ethylidene(difluoro)zirconium;bis(1H-inden-1-ide)

C20H18F2Zr-2 — CID 87203406

IUPACethylidene(difluoro)zirconium;bis(1H-inden-1-ide)
SMILESCC=[Zr](F)F.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C2H4.2FH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-2;;;/h2*1-7H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyARQSTFNAARMTJF-UHFFFAOYSA-L
MW387.58 g/mol
LogP6.31
Rot. Bonds

About ethylidene(difluoro)zirconium;bis(1H-inden-1-ide)

ethylidene(difluoro)zirconium;bis(1H-inden-1-ide) (PubChem CID 87203406) has the molecular formula C20H18F2Zr-2 and a molecular weight of 387.58 g/mol. Its IUPAC name is ethylidene(difluoro)zirconium;bis(1H-inden-1-ide).

Molecular Properties

Compound Nameethylidene(difluoro)zirconium;bis(1H-inden-1-ide)
PubChem CID87203406
Molecular FormulaC20H18F2Zr-2
Molecular Weight387.58 g/mol
Exact Mass386.04
IUPAC Nameethylidene(difluoro)zirconium;bis(1H-inden-1-ide)
SMILESCC=[Zr](F)F.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C2H4.2FH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-2;;;/h2*1-7H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyARQSTFNAARMTJF-UHFFFAOYSA-L
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.58
LogP ≤ 56.31
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

1-Methyl-3-phenylindane
CID 22924
9,9'-Bifluorene
CID 137063
9H-Fluorene, 9-(9H-fluoren-9-ylidene)-
CID 136564
Meso-ethylenebis(1-indenyl)zirconium(IV) dichloride
CID 16212518
Bis(indenyl)zirconium dichloride
CID 15789605
Ethylenebis(indenyl)zirconium dichloride
CID 15806102
9H-Fluorene, 9-(1-methylethyl)-
CID 18696
9-Propyl-9H-fluorene
CID 178017
Bisindenyltitanium dichloride
CID 202571
1-Benzylideneindan
CID 6068719
9H-Fluoren-9-yllithium
CID 11789669
1-Phenyl-3-(2-phenylpropyl)indan
CID 3019819

Frequently Asked Questions

What is the IUPAC name of ethylidene(difluoro)zirconium;bis(1H-inden-1-ide)?
The IUPAC name of ethylidene(difluoro)zirconium;bis(1H-inden-1-ide) (CID 87203406) is ethylidene(difluoro)zirconium;bis(1H-inden-1-ide).
What is the SMILES notation for ethylidene(difluoro)zirconium;bis(1H-inden-1-ide)?
The canonical SMILES for ethylidene(difluoro)zirconium;bis(1H-inden-1-ide) is CC=[Zr](F)F.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of ethylidene(difluoro)zirconium;bis(1H-inden-1-ide)?
The InChIKey is ARQSTFNAARMTJF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7.C2H4.2FH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-2;;;/h2*1-7H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of ethylidene(difluoro)zirconium;bis(1H-inden-1-ide)?
ethylidene(difluoro)zirconium;bis(1H-inden-1-ide) has a molecular weight of 387.58 g/mol, XLogP of 6.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene(difluoro)zirconium;bis(1H-inden-1-ide) is sourced from PubChem (CID 87203406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).