difluorozirconium;1,5-dimethylcyclopenta-1,3-diene

C7H10F2Zr — CID 174427609

IUPACdifluorozirconium;1,5-dimethylcyclopenta-1,3-diene
SMILESCC1=CC=CC1C.F[Zr]F
InChIInChI=1S/C7H10.2FH.Zr/c1-6-4-3-5-7(6)2;;;/h3-6H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyFKSNRSUCABFJML-UHFFFAOYSA-L
MW223.38 g/mol
LogP2.98
Rot. Bonds

About difluorozirconium;1,5-dimethylcyclopenta-1,3-diene

difluorozirconium;1,5-dimethylcyclopenta-1,3-diene (PubChem CID 174427609) has the molecular formula C7H10F2Zr and a molecular weight of 223.38 g/mol. Its IUPAC name is difluorozirconium;1,5-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namedifluorozirconium;1,5-dimethylcyclopenta-1,3-diene
PubChem CID174427609
Molecular FormulaC7H10F2Zr
Molecular Weight223.38 g/mol
Exact Mass221.98
IUPAC Namedifluorozirconium;1,5-dimethylcyclopenta-1,3-diene
SMILESCC1=CC=CC1C.F[Zr]F
InChIInChI=1S/C7H10.2FH.Zr/c1-6-4-3-5-7(6)2;;;/h3-6H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyFKSNRSUCABFJML-UHFFFAOYSA-L
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of difluorozirconium;1,5-dimethylcyclopenta-1,3-diene?
The IUPAC name of difluorozirconium;1,5-dimethylcyclopenta-1,3-diene (CID 174427609) is difluorozirconium;1,5-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for difluorozirconium;1,5-dimethylcyclopenta-1,3-diene?
The canonical SMILES for difluorozirconium;1,5-dimethylcyclopenta-1,3-diene is CC1=CC=CC1C.F[Zr]F.
What is the InChIKey of difluorozirconium;1,5-dimethylcyclopenta-1,3-diene?
The InChIKey is FKSNRSUCABFJML-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H10.2FH.Zr/c1-6-4-3-5-7(6)2;;;/h3-6H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of difluorozirconium;1,5-dimethylcyclopenta-1,3-diene?
difluorozirconium;1,5-dimethylcyclopenta-1,3-diene has a molecular weight of 223.38 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluorozirconium;1,5-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 174427609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).