cyclopenta-1,3-diene;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene

C11H11F3Hf — CID 22023592

IUPACcyclopenta-1,3-diene;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)C1=[C-]CC=C1.[C-]1=CC=CC1.[H-].[H-].[Hf+4]
InChIInChI=1S/C6H4F3.C5H5.Hf.2H/c7-6(8,9)5-3-1-2-4-5;1-2-4-5-3-1;;;/h1,3H,2H2;1-3H,4H2;;;/q2*-1;+4;2*-1
InChIKeyZXYVKLPANNXXPR-UHFFFAOYSA-N
MW378.69 g/mol
LogP3.77
Rot. Bonds

About cyclopenta-1,3-diene;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene

cyclopenta-1,3-diene;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene (PubChem CID 22023592) has the molecular formula C11H11F3Hf and a molecular weight of 378.69 g/mol. Its IUPAC name is cyclopenta-1,3-diene;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene
PubChem CID22023592
Molecular FormulaC11H11F3Hf
Molecular Weight378.69 g/mol
Exact Mass380.03
IUPAC Namecyclopenta-1,3-diene;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)C1=[C-]CC=C1.[C-]1=CC=CC1.[H-].[H-].[Hf+4]
InChIInChI=1S/C6H4F3.C5H5.Hf.2H/c7-6(8,9)5-3-1-2-4-5;1-2-4-5-3-1;;;/h1,3H,2H2;1-3H,4H2;;;/q2*-1;+4;2*-1
InChIKeyZXYVKLPANNXXPR-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.69
LogP ≤ 53.77
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

2-tert-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 22023532
2-tert-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 18764321
bis(2-tert-butylcyclopenta-1,3-diene);carbanide;tetrakis(cyclopenta-1,3-diene);silylidenezirconium;bis(zirconium(2+));hexahydrochloride
CID 173060860
cyclopenta-1,3-diene;cyclopenta-1,4-dien-1-ylgermane;hydride;zirconium(4+)
CID 173221785
cyclopenta-1,3-diene;hydride;2-methylcyclopenta-1,3-diene;zirconium(2+)
CID 173138312
cyclopenta-1,3-diene;hydride;zirconium
CID 173316209
cyclopenta-1,3-diene;2-iodocyclopenta-1,3-diene;iron(2+)
CID 91885277
bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide
CID 19821504
carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 174257873
carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
CID 173293314
lithium;cyclopenta-1,3-diene;hydride;zirconium
CID 175302928
carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)
CID 173197965

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene?
The IUPAC name of cyclopenta-1,3-diene;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene (CID 22023592) is cyclopenta-1,3-diene;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene.
What is the SMILES notation for cyclopenta-1,3-diene;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene?
The canonical SMILES for cyclopenta-1,3-diene;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene is FC(F)(F)C1=[C-]CC=C1.[C-]1=CC=CC1.[H-].[H-].[Hf+4].
What is the InChIKey of cyclopenta-1,3-diene;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene?
The InChIKey is ZXYVKLPANNXXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3.C5H5.Hf.2H/c7-6(8,9)5-3-1-2-4-5;1-2-4-5-3-1;;;/h1,3H,2H2;1-3H,4H2;;;/q2*-1;+4;2*-1.
What are the key properties of cyclopenta-1,3-diene;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene?
cyclopenta-1,3-diene;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene has a molecular weight of 378.69 g/mol, XLogP of 3.77, 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;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 22023592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).