cyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide

C19H16Cl2Hf-2 — CID 174047756

IUPACcyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide
SMILESC=[Hf](Cl)Cl.c1cc[cH-]c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.CH2.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;;/h1-9H;1-5H;1H2;2*1H;/q2*-1;;;;+2/p-2
InChIKeyWHKCREAIERGROI-UHFFFAOYSA-L
MW493.73 g/mol
LogP6.46
Rot. Bonds

About cyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide

cyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide (PubChem CID 174047756) has the molecular formula C19H16Cl2Hf-2 and a molecular weight of 493.73 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide
PubChem CID174047756
Molecular FormulaC19H16Cl2Hf-2
Molecular Weight493.73 g/mol
Exact Mass494.01
IUPAC Namecyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide
SMILESC=[Hf](Cl)Cl.c1cc[cH-]c1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.CH2.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;;/h1-9H;1-5H;1H2;2*1H;/q2*-1;;;;+2/p-2
InChIKeyWHKCREAIERGROI-UHFFFAOYSA-L
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.73
LogP ≤ 56.46
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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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide?
The IUPAC name of cyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide (CID 174047756) is cyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide.
What is the SMILES notation for cyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide?
The canonical SMILES for cyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide is C=[Hf](Cl)Cl.c1cc[cH-]c1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of cyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide?
The InChIKey is WHKCREAIERGROI-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C5H5.CH2.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;;/h1-9H;1-5H;1H2;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide?
cyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide has a molecular weight of 493.73 g/mol, XLogP of 6.46, 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;dichloro(methylidene)hafnium;9H-fluoren-9-ide is sourced from PubChem (CID 174047756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).