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

C8H13Br2Hf- — CID 174711388

IUPAChafnium;2-propylcyclopenta-1,3-diene;dihydrobromide
SMILESBr.Br.CCCC1=[C-]CC=C1.[Hf]
InChIInChI=1S/C8H11.2BrH.Hf/c1-2-5-8-6-3-4-7-8;;;/h3,6H,2,4-5H2,1H3;2*1H;/q-1;;;
InChIKeyQPRYMEGUEOJUIM-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.63
Rot. Bonds2

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

hafnium;2-propylcyclopenta-1,3-diene;dihydrobromide (PubChem CID 174711388) has the molecular formula C8H13Br2Hf- and a molecular weight of 447.49 g/mol. Its IUPAC name is hafnium;2-propylcyclopenta-1,3-diene;dihydrobromide.

Molecular Properties

Compound Namehafnium;2-propylcyclopenta-1,3-diene;dihydrobromide
PubChem CID174711388
Molecular FormulaC8H13Br2Hf-
Molecular Weight447.49 g/mol
Exact Mass446.89
IUPAC Namehafnium;2-propylcyclopenta-1,3-diene;dihydrobromide
SMILESBr.Br.CCCC1=[C-]CC=C1.[Hf]
InChIInChI=1S/C8H11.2BrH.Hf/c1-2-5-8-6-3-4-7-8;;;/h3,6H,2,4-5H2,1H3;2*1H;/q-1;;;
InChIKeyQPRYMEGUEOJUIM-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze hafnium;2-propylcyclopenta-1,3-diene;dihydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propylcyclopenta-1,3-diene;vanadium;trihydrochloride
CID 173025435
bis(2-propylcyclopenta-1,3-diene);zirconium(4+);difluoride
CID 86584684
tris(2-propylcyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22617465
CID 173242746
CID 173242746
CID 173063851
CID 173063851
2-butylcyclopenta-1,3-diene;hafnium;dibromide
CID 174700616
hafnium(4+);bis(2-methylcyclopenta-1,3-diene);bis(2-propylcyclopenta-1,3-diene);zirconium(4+);tetrachloride
CID 173283679
2-ethylcyclopenta-1,3-diene;hafnium
CID 173317623
manganese;2-pentylcyclopenta-1,3-diene
CID 174921079
bis(2-butylcyclopenta-1,3-diene);hydride;titanium(4+)
CID 22023571
sodium 2-pentylcyclopenta-1,3-diene
CID 173389427
bis(2-butylcyclopenta-1,3-diene);titanium(4+);dichloride
CID 53471296

Frequently Asked Questions

What is the IUPAC name of hafnium;2-propylcyclopenta-1,3-diene;dihydrobromide?
The IUPAC name of hafnium;2-propylcyclopenta-1,3-diene;dihydrobromide (CID 174711388) is hafnium;2-propylcyclopenta-1,3-diene;dihydrobromide.
What is the SMILES notation for hafnium;2-propylcyclopenta-1,3-diene;dihydrobromide?
The canonical SMILES for hafnium;2-propylcyclopenta-1,3-diene;dihydrobromide is Br.Br.CCCC1=[C-]CC=C1.[Hf].
What is the InChIKey of hafnium;2-propylcyclopenta-1,3-diene;dihydrobromide?
The InChIKey is QPRYMEGUEOJUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.2BrH.Hf/c1-2-5-8-6-3-4-7-8;;;/h3,6H,2,4-5H2,1H3;2*1H;/q-1;;;.
What are the key properties of hafnium;2-propylcyclopenta-1,3-diene;dihydrobromide?
hafnium;2-propylcyclopenta-1,3-diene;dihydrobromide has a molecular weight of 447.49 g/mol, XLogP of 3.63, 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;dihydrobromide is sourced from PubChem (CID 174711388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).