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

C12H10F6Ti — CID 22023589

IUPAChydride;titanium(4+);bis(2-(trifluoromethyl)cyclopenta-1,3-diene)
SMILESFC(F)(F)C1=[C-]CC=C1.FC(F)(F)C1=[C-]CC=C1.[H-].[H-].[Ti+4]
InChIInChI=1S/2C6H4F3.Ti.2H/c2*7-6(8,9)5-3-1-2-4-5;;;/h2*1,3H,2H2;;;/q2*-1;+4;2*-1
InChIKeyWPOVGNQMEIKXPW-UHFFFAOYSA-N
MW316.07 g/mol
LogP4.70
Rot. Bonds

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

hydride;titanium(4+);bis(2-(trifluoromethyl)cyclopenta-1,3-diene) (PubChem CID 22023589) has the molecular formula C12H10F6Ti and a molecular weight of 316.07 g/mol. Its IUPAC name is hydride;titanium(4+);bis(2-(trifluoromethyl)cyclopenta-1,3-diene).

Molecular Properties

Compound Namehydride;titanium(4+);bis(2-(trifluoromethyl)cyclopenta-1,3-diene)
PubChem CID22023589
Molecular FormulaC12H10F6Ti
Molecular Weight316.07 g/mol
Exact Mass316.02
IUPAC Namehydride;titanium(4+);bis(2-(trifluoromethyl)cyclopenta-1,3-diene)
SMILESFC(F)(F)C1=[C-]CC=C1.FC(F)(F)C1=[C-]CC=C1.[H-].[H-].[Ti+4]
InChIInChI=1S/2C6H4F3.Ti.2H/c2*7-6(8,9)5-3-1-2-4-5;;;/h2*1,3H,2H2;;;/q2*-1;+4;2*-1
InChIKeyWPOVGNQMEIKXPW-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 ≤ 500316.07
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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Frequently Asked Questions

What is the IUPAC name of hydride;titanium(4+);bis(2-(trifluoromethyl)cyclopenta-1,3-diene)?
The IUPAC name of hydride;titanium(4+);bis(2-(trifluoromethyl)cyclopenta-1,3-diene) (CID 22023589) is hydride;titanium(4+);bis(2-(trifluoromethyl)cyclopenta-1,3-diene).
What is the SMILES notation for hydride;titanium(4+);bis(2-(trifluoromethyl)cyclopenta-1,3-diene)?
The canonical SMILES for hydride;titanium(4+);bis(2-(trifluoromethyl)cyclopenta-1,3-diene) is FC(F)(F)C1=[C-]CC=C1.FC(F)(F)C1=[C-]CC=C1.[H-].[H-].[Ti+4].
What is the InChIKey of hydride;titanium(4+);bis(2-(trifluoromethyl)cyclopenta-1,3-diene)?
The InChIKey is WPOVGNQMEIKXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4F3.Ti.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 hydride;titanium(4+);bis(2-(trifluoromethyl)cyclopenta-1,3-diene)?
hydride;titanium(4+);bis(2-(trifluoromethyl)cyclopenta-1,3-diene) has a molecular weight of 316.07 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 hydride;titanium(4+);bis(2-(trifluoromethyl)cyclopenta-1,3-diene) is sourced from PubChem (CID 22023589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).