2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium

C10H16F2Zr — CID 174700660

IUPAC2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium
SMILESCCCCC1=CC(C)C=C1.F[Zr]F
InChIInChI=1S/C10H16.2FH.Zr/c1-3-4-5-10-7-6-9(2)8-10;;;/h6-9H,3-5H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyVNIRHQOTZGFYNW-UHFFFAOYSA-L
MW265.46 g/mol
LogP4.15
Rot. Bonds3

About 2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium

2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium (PubChem CID 174700660) has the molecular formula C10H16F2Zr and a molecular weight of 265.46 g/mol. Its IUPAC name is 2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium.

Molecular Properties

Compound Name2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium
PubChem CID174700660
Molecular FormulaC10H16F2Zr
Molecular Weight265.46 g/mol
Exact Mass264.03
IUPAC Name2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium
SMILESCCCCC1=CC(C)C=C1.F[Zr]F
InChIInChI=1S/C10H16.2FH.Zr/c1-3-4-5-10-7-6-9(2)8-10;;;/h6-9H,3-5H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyVNIRHQOTZGFYNW-UHFFFAOYSA-L
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.46
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium?
The IUPAC name of 2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium (CID 174700660) is 2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium.
What is the SMILES notation for 2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium?
The canonical SMILES for 2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium is CCCCC1=CC(C)C=C1.F[Zr]F.
What is the InChIKey of 2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium?
The InChIKey is VNIRHQOTZGFYNW-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H16.2FH.Zr/c1-3-4-5-10-7-6-9(2)8-10;;;/h6-9H,3-5H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of 2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium?
2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium has a molecular weight of 265.46 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium is sourced from PubChem (CID 174700660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).