bis(5-(2-methylpropyl)cyclopenta-1,3-diene);titanium(4+);difluoride

C18H26F2Ti — CID 157341345

IUPACbis(5-(2-methylpropyl)cyclopenta-1,3-diene);titanium(4+);difluoride
SMILESCC(C)C[c-]1cccc1.CC(C)C[c-]1cccc1.[F-].[F-].[Ti+4]
InChIInChI=1S/2C9H13.2FH.Ti/c2*1-8(2)7-9-5-3-4-6-9;;;/h2*3-6,8H,7H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyCGBMXWXNVQXKBB-UHFFFAOYSA-L
MW328.27 g/mol
LogP-0.79
Rot. Bonds4

About bis(5-(2-methylpropyl)cyclopenta-1,3-diene);titanium(4+);difluoride

bis(5-(2-methylpropyl)cyclopenta-1,3-diene);titanium(4+);difluoride (PubChem CID 157341345) has the molecular formula C18H26F2Ti and a molecular weight of 328.27 g/mol. Its IUPAC name is bis(5-(2-methylpropyl)cyclopenta-1,3-diene);titanium(4+);difluoride.

Molecular Properties

Compound Namebis(5-(2-methylpropyl)cyclopenta-1,3-diene);titanium(4+);difluoride
PubChem CID157341345
Molecular FormulaC18H26F2Ti
Molecular Weight328.27 g/mol
Exact Mass328.15
IUPAC Namebis(5-(2-methylpropyl)cyclopenta-1,3-diene);titanium(4+);difluoride
SMILESCC(C)C[c-]1cccc1.CC(C)C[c-]1cccc1.[F-].[F-].[Ti+4]
InChIInChI=1S/2C9H13.2FH.Ti/c2*1-8(2)7-9-5-3-4-6-9;;;/h2*3-6,8H,7H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyCGBMXWXNVQXKBB-UHFFFAOYSA-L
XLogP-0.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 5-0.79
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 bis(5-(2-methylpropyl)cyclopenta-1,3-diene);titanium(4+);difluoride?
The IUPAC name of bis(5-(2-methylpropyl)cyclopenta-1,3-diene);titanium(4+);difluoride (CID 157341345) is bis(5-(2-methylpropyl)cyclopenta-1,3-diene);titanium(4+);difluoride.
What is the SMILES notation for bis(5-(2-methylpropyl)cyclopenta-1,3-diene);titanium(4+);difluoride?
The canonical SMILES for bis(5-(2-methylpropyl)cyclopenta-1,3-diene);titanium(4+);difluoride is CC(C)C[c-]1cccc1.CC(C)C[c-]1cccc1.[F-].[F-].[Ti+4].
What is the InChIKey of bis(5-(2-methylpropyl)cyclopenta-1,3-diene);titanium(4+);difluoride?
The InChIKey is CGBMXWXNVQXKBB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H13.2FH.Ti/c2*1-8(2)7-9-5-3-4-6-9;;;/h2*3-6,8H,7H2,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(5-(2-methylpropyl)cyclopenta-1,3-diene);titanium(4+);difluoride?
bis(5-(2-methylpropyl)cyclopenta-1,3-diene);titanium(4+);difluoride has a molecular weight of 328.27 g/mol, XLogP of -0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-(2-methylpropyl)cyclopenta-1,3-diene);titanium(4+);difluoride is sourced from PubChem (CID 157341345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).