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

C12H10F6Hf — CID 22023633

IUPAChafnium(4+);hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene)
SMILESFC(F)(F)C1=[C-]CC=C1.FC(F)(F)C1=[C-]CC=C1.[H-].[H-].[Hf+4]
InChIInChI=1S/2C6H4F3.Hf.2H/c2*7-6(8,9)5-3-1-2-4-5;;;/h2*1,3H,2H2;;;/q2*-1;+4;2*-1
InChIKeyNKYXGQNVWGKFOT-UHFFFAOYSA-N
MW446.69 g/mol
LogP4.70
Rot. Bonds

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

hafnium(4+);hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene) (PubChem CID 22023633) has the molecular formula C12H10F6Hf and a molecular weight of 446.69 g/mol. Its IUPAC name is hafnium(4+);hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene).

Molecular Properties

Compound Namehafnium(4+);hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene)
PubChem CID22023633
Molecular FormulaC12H10F6Hf
Molecular Weight446.69 g/mol
Exact Mass448.02
IUPAC Namehafnium(4+);hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene)
SMILESFC(F)(F)C1=[C-]CC=C1.FC(F)(F)C1=[C-]CC=C1.[H-].[H-].[Hf+4]
InChIInChI=1S/2C6H4F3.Hf.2H/c2*7-6(8,9)5-3-1-2-4-5;;;/h2*1,3H,2H2;;;/q2*-1;+4;2*-1
InChIKeyNKYXGQNVWGKFOT-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.69
LogP ≤ 54.70
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

5-(2,2,2-Trifluoroethylidene)cyclopenta-1,3-diene fluoride
CID 139243623
Bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(2+)
CID 18431329
2-Cyclopenta-1,3-dien-1-yl-3-(trifluoromethyl)cyclopenta-1,3-diene
CID 18431334
Cyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+)
CID 18431339
Hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(4+)
CID 21226304
Hydride;titanium(4+);bis(2-(trifluoromethyl)cyclopenta-1,3-diene)
CID 22023589
Cyclopenta-1,3-diene;hafnium(4+);hydride;2-(trifluoromethyl)cyclopenta-1,3-diene
CID 22023592
Cyclopenta-1,3-diene;hydride;titanium(4+);2-(trifluoromethyl)cyclopenta-1,3-diene
CID 22023608
Cyclopenta-1,3-diene;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+)
CID 22023631
Dichlorotitanium;bis(2-(trifluoromethyl)cyclopenta-1,3-diene)
CID 22074040
Bis(cyclopenta-1,3-diene);titanium(3+);trifluoromethylbenzene
CID 22416114
1,2-Bis(trifluoromethyl)benzene-6-ide;bis(cyclopenta-1,3-diene);titanium(3+)
CID 22416119

Frequently Asked Questions

What is the IUPAC name of hafnium(4+);hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene)?
The IUPAC name of hafnium(4+);hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene) (CID 22023633) is hafnium(4+);hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene).
What is the SMILES notation for hafnium(4+);hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene)?
The canonical SMILES for hafnium(4+);hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene) is FC(F)(F)C1=[C-]CC=C1.FC(F)(F)C1=[C-]CC=C1.[H-].[H-].[Hf+4].
What is the InChIKey of hafnium(4+);hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene)?
The InChIKey is NKYXGQNVWGKFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4F3.Hf.2H/c2*7-6(8,9)5-3-1-2-4-5;;;/h2*1,3H,2H2;;;/q2*-1;+4;2*-1.
What are the key properties of hafnium(4+);hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene)?
hafnium(4+);hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene) has a molecular weight of 446.69 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene) is sourced from PubChem (CID 22023633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).