cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide

C14H12F2Zr — CID 141083945

IUPACcyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide
SMILESF[Zr+2]F.c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.2FH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyNFUMSHLJANVAJP-UHFFFAOYSA-L
MW309.47 g/mol
LogP4.80
Rot. Bonds

About cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide

cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide (PubChem CID 141083945) has the molecular formula C14H12F2Zr and a molecular weight of 309.47 g/mol. Its IUPAC name is cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide
PubChem CID141083945
Molecular FormulaC14H12F2Zr
Molecular Weight309.47 g/mol
Exact Mass308.00
IUPAC Namecyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide
SMILESF[Zr+2]F.c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.2FH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyNFUMSHLJANVAJP-UHFFFAOYSA-L
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 54.80
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

cyclopenta-1,3-diene;1H-inden-1-ide;titanium(2+)
CID 154419987
cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)
CID 175934824
cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide
CID 15397844
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron
CID 176655072
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)
CID 15303001
carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide
CID 148548337
cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 158276689
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
magnesium;1H-inden-1-ide;bromide
CID 12823996
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
carbanide;1H-inden-1-ide;titanium(3+);trichloride
CID 157275442

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide?
The IUPAC name of cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide (CID 141083945) is cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide.
What is the SMILES notation for cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide?
The canonical SMILES for cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide is F[Zr+2]F.c1cc[cH-]c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide?
The InChIKey is NFUMSHLJANVAJP-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C5H5.2FH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide?
cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide has a molecular weight of 309.47 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide is sourced from PubChem (CID 141083945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).