hafnium;2-propylcyclopenta-1,3-diene;difluoride

C8H11F2Hf-3 — CID 174480165

IUPAChafnium;2-propylcyclopenta-1,3-diene;difluoride
SMILESCCCC1=CC[C-]=C1.[F-].[F-].[Hf]
InChIInChI=1S/C8H11.2FH.Hf/c1-2-5-8-6-3-4-7-8;;;/h6-7H,2-3,5H2,1H3;2*1H;/q-1;;;/p-2
InChIKeyYXDHDLBREPMKJW-UHFFFAOYSA-L
MW323.66 g/mol
LogP-3.52
Rot. Bonds2

About hafnium;2-propylcyclopenta-1,3-diene;difluoride

hafnium;2-propylcyclopenta-1,3-diene;difluoride (PubChem CID 174480165) has the molecular formula C8H11F2Hf-3 and a molecular weight of 323.66 g/mol. Its IUPAC name is hafnium;2-propylcyclopenta-1,3-diene;difluoride.

Molecular Properties

Compound Namehafnium;2-propylcyclopenta-1,3-diene;difluoride
PubChem CID174480165
Molecular FormulaC8H11F2Hf-3
Molecular Weight323.66 g/mol
Exact Mass325.03
IUPAC Namehafnium;2-propylcyclopenta-1,3-diene;difluoride
SMILESCCCC1=CC[C-]=C1.[F-].[F-].[Hf]
InChIInChI=1S/C8H11.2FH.Hf/c1-2-5-8-6-3-4-7-8;;;/h6-7H,2-3,5H2,1H3;2*1H;/q-1;;;/p-2
InChIKeyYXDHDLBREPMKJW-UHFFFAOYSA-L
XLogP-3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.66
LogP ≤ 5-3.52
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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Related Compounds

cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+);2-propylcyclopenta-1,3-diene
CID 173079907
bis(2-butylcyclopenta-1,3-diene);dimethylsilylidenezirconium(2+);dichloride
CID 87517272
2-ethylcyclopenta-1,3-diene;titanium;trihydrochloride
CID 173474544
2-(3-methylbutyl)cyclopenta-1,3-diene;zirconium
CID 174595951
2-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;dimethylsilylidenezirconium(2+)
CID 173079976
carbanide;cyclopenta-1,3-diene;2-pentylcyclopenta-1,3-diene;silylidenezirconium
CID 173079852
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethylcyclopenta-1,3-diene);dichloride
CID 23296871
CID 173097962
CID 173097962
bis(2-but-1-enylcyclopenta-1,3-diene);hafnium(4+);difluoride
CID 173157303
hafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene)
CID 173082217
2-pentan-2-ylcyclopenta-1,3-diene;zirconium;dihydrochloride
CID 174501530
CID 87140376
CID 87140376

Frequently Asked Questions

What is the IUPAC name of hafnium;2-propylcyclopenta-1,3-diene;difluoride?
The IUPAC name of hafnium;2-propylcyclopenta-1,3-diene;difluoride (CID 174480165) is hafnium;2-propylcyclopenta-1,3-diene;difluoride.
What is the SMILES notation for hafnium;2-propylcyclopenta-1,3-diene;difluoride?
The canonical SMILES for hafnium;2-propylcyclopenta-1,3-diene;difluoride is CCCC1=CC[C-]=C1.[F-].[F-].[Hf].
What is the InChIKey of hafnium;2-propylcyclopenta-1,3-diene;difluoride?
The InChIKey is YXDHDLBREPMKJW-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H11.2FH.Hf/c1-2-5-8-6-3-4-7-8;;;/h6-7H,2-3,5H2,1H3;2*1H;/q-1;;;/p-2.
What are the key properties of hafnium;2-propylcyclopenta-1,3-diene;difluoride?
hafnium;2-propylcyclopenta-1,3-diene;difluoride has a molecular weight of 323.66 g/mol, XLogP of -3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;2-propylcyclopenta-1,3-diene;difluoride is sourced from PubChem (CID 174480165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).