2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride

C21H19F2Zr- — CID 87531949

IUPAC2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride
SMILESCC(C)=[Zr+2].[F-].[F-].[c-]1c(C2=CC=CC2)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C18H13.C3H6.2FH.Zr/c1-2-6-13(5-1)14-9-10-18-16(11-14)12-15-7-3-4-8-17(15)18;1-3-2;;;/h1-5,7-10H,6,12H2;1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyAFTFZZIGLKIVSN-UHFFFAOYSA-L
MW400.60 g/mol
LogP-0.85
Rot. Bonds1

About 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride

2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride (PubChem CID 87531949) has the molecular formula C21H19F2Zr- and a molecular weight of 400.60 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride
PubChem CID87531949
Molecular FormulaC21H19F2Zr-
Molecular Weight400.60 g/mol
Exact Mass399.05
IUPAC Name2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride
SMILESCC(C)=[Zr+2].[F-].[F-].[c-]1c(C2=CC=CC2)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C18H13.C3H6.2FH.Zr/c1-2-6-13(5-1)14-9-10-18-16(11-14)12-15-7-3-4-8-17(15)18;1-3-2;;;/h1-5,7-10H,6,12H2;1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyAFTFZZIGLKIVSN-UHFFFAOYSA-L
XLogP-0.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.60
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride with MolForge

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Related Compounds

carbanide;2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride
CID 173014129
cyclohexylidenezirconium;bis(2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide);dichloride
CID 18785407
CID 173060795
CID 173060795
methanol;2-methyl-1,9-dihydrofluoren-1-ide;titanium
CID 174331013
tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride
CID 18469369
bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride
CID 87200949
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride
CID 18316822
bis(cyclopenta-1,3-diene);bis(1,9-dihydrofluoren-1-ide);bis(propan-2-ylidenezirconium(2+));dichloride
CID 21253595
2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene
CID 21254346
cyclohexylidenezirconium;bis(2-cyclopenta-1,3-dien-1-yl-3-methyl-1,9-dihydrofluoren-1-ide);dichloride
CID 18785412
2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)
CID 87704393
dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide)
CID 87824196

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride (CID 87531949) is 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride is CC(C)=[Zr+2].[F-].[F-].[c-]1c(C2=CC=CC2)ccc2c1Cc1ccccc1-2.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride?
The InChIKey is AFTFZZIGLKIVSN-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H13.C3H6.2FH.Zr/c1-2-6-13(5-1)14-9-10-18-16(11-14)12-15-7-3-4-8-17(15)18;1-3-2;;;/h1-5,7-10H,6,12H2;1-2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride?
2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride has a molecular weight of 400.60 g/mol, XLogP of -0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);difluoride is sourced from PubChem (CID 87531949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).