1-fluoro-2-(5-propan-2-ylidenecyclopenten-1-yl)benzene;zirconium(2+);dichloride

C14H15Cl2FZr — CID 158936944

IUPAC1-fluoro-2-(5-propan-2-ylidenecyclopenten-1-yl)benzene;zirconium(2+);dichloride
SMILESCC(C)=C1CCC=C1c1ccccc1F.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C14H15F.2ClH.Zr/c1-10(2)11-7-5-8-12(11)13-6-3-4-9-14(13)15;;;/h3-4,6,8-9H,5,7H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyQSHGEKXLXQPLPF-UHFFFAOYSA-L
MW364.40 g/mol
LogP-1.66
Rot. Bonds1

About 1-fluoro-2-(5-propan-2-ylidenecyclopenten-1-yl)benzene;zirconium(2+);dichloride

1-fluoro-2-(5-propan-2-ylidenecyclopenten-1-yl)benzene;zirconium(2+);dichloride (PubChem CID 158936944) has the molecular formula C14H15Cl2FZr and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-fluoro-2-(5-propan-2-ylidenecyclopenten-1-yl)benzene;zirconium(2+);dichloride.

Molecular Properties

Compound Name1-fluoro-2-(5-propan-2-ylidenecyclopenten-1-yl)benzene;zirconium(2+);dichloride
PubChem CID158936944
Molecular FormulaC14H15Cl2FZr
Molecular Weight364.40 g/mol
Exact Mass361.96
IUPAC Name1-fluoro-2-(5-propan-2-ylidenecyclopenten-1-yl)benzene;zirconium(2+);dichloride
SMILESCC(C)=C1CCC=C1c1ccccc1F.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C14H15F.2ClH.Zr/c1-10(2)11-7-5-8-12(11)13-6-3-4-9-14(13)15;;;/h3-4,6,8-9H,5,7H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyQSHGEKXLXQPLPF-UHFFFAOYSA-L
XLogP-1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-1.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(5-propan-2-ylidenecyclopenten-1-yl)benzene;zirconium(2+);dichloride?
The IUPAC name of 1-fluoro-2-(5-propan-2-ylidenecyclopenten-1-yl)benzene;zirconium(2+);dichloride (CID 158936944) is 1-fluoro-2-(5-propan-2-ylidenecyclopenten-1-yl)benzene;zirconium(2+);dichloride.
What is the SMILES notation for 1-fluoro-2-(5-propan-2-ylidenecyclopenten-1-yl)benzene;zirconium(2+);dichloride?
The canonical SMILES for 1-fluoro-2-(5-propan-2-ylidenecyclopenten-1-yl)benzene;zirconium(2+);dichloride is CC(C)=C1CCC=C1c1ccccc1F.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 1-fluoro-2-(5-propan-2-ylidenecyclopenten-1-yl)benzene;zirconium(2+);dichloride?
The InChIKey is QSHGEKXLXQPLPF-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H15F.2ClH.Zr/c1-10(2)11-7-5-8-12(11)13-6-3-4-9-14(13)15;;;/h3-4,6,8-9H,5,7H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1-fluoro-2-(5-propan-2-ylidenecyclopenten-1-yl)benzene;zirconium(2+);dichloride?
1-fluoro-2-(5-propan-2-ylidenecyclopenten-1-yl)benzene;zirconium(2+);dichloride has a molecular weight of 364.40 g/mol, XLogP of -1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(5-propan-2-ylidenecyclopenten-1-yl)benzene;zirconium(2+);dichloride is sourced from PubChem (CID 158936944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).