hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trifluoride

C10H15F3Hf — CID 18365644

IUPAChafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trifluoride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[F-].[F-].[F-].[Hf+4]
InChIInChI=1S/C10H15.3FH.Hf/c1-7-6-10(4,5)9(3)8(7)2;;;;/h1-5H3;3*1H;/q-1;;;;+4/p-3
InChIKeyGDATTZKXNIGILL-UHFFFAOYSA-K
MW370.71 g/mol
LogP-5.88
Rot. Bonds

About hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trifluoride

hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trifluoride (PubChem CID 18365644) has the molecular formula C10H15F3Hf and a molecular weight of 370.71 g/mol. Its IUPAC name is hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trifluoride.

Molecular Properties

Compound Namehafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trifluoride
PubChem CID18365644
Molecular FormulaC10H15F3Hf
Molecular Weight370.71 g/mol
Exact Mass372.06
IUPAC Namehafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trifluoride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[F-].[F-].[F-].[Hf+4]
InChIInChI=1S/C10H15.3FH.Hf/c1-7-6-10(4,5)9(3)8(7)2;;;;/h1-5H3;3*1H;/q-1;;;;+4/p-3
InChIKeyGDATTZKXNIGILL-UHFFFAOYSA-K
XLogP-5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.71
LogP ≤ 5-5.88
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 hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trifluoride?
The IUPAC name of hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trifluoride (CID 18365644) is hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trifluoride.
What is the SMILES notation for hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trifluoride?
The canonical SMILES for hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trifluoride is CC1=[C-]C(C)(C)C(C)=C1C.[F-].[F-].[F-].[Hf+4].
What is the InChIKey of hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trifluoride?
The InChIKey is GDATTZKXNIGILL-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H15.3FH.Hf/c1-7-6-10(4,5)9(3)8(7)2;;;;/h1-5H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trifluoride?
hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trifluoride has a molecular weight of 370.71 g/mol, XLogP of -5.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene;trifluoride is sourced from PubChem (CID 18365644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).