bis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene

C16H13F3Ti — CID 174499861

IUPACbis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene
SMILESFc1cc(F)cc(F)c1.[Ti+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/C6H3F3.2C5H5.Ti/c7-4-1-5(8)3-6(9)2-4;2*1-2-4-5-3-1;/h1-3H;2*1-5H;/q;2*-1;+2
InChIKeyZVLDJTMJQSNRGY-UHFFFAOYSA-N
MW310.14 g/mol
LogP4.91
Rot. Bonds

About bis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene

bis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene (PubChem CID 174499861) has the molecular formula C16H13F3Ti and a molecular weight of 310.14 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene
PubChem CID174499861
Molecular FormulaC16H13F3Ti
Molecular Weight310.14 g/mol
Exact Mass310.04
IUPAC Namebis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene
SMILESFc1cc(F)cc(F)c1.[Ti+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/C6H3F3.2C5H5.Ti/c7-4-1-5(8)3-6(9)2-4;2*1-2-4-5-3-1;/h1-3H;2*1-5H;/q;2*-1;+2
InChIKeyZVLDJTMJQSNRGY-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 54.91
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

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CID 139939973
tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+)
CID 161107864
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CID 72747194
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Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene?
The IUPAC name of bis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene (CID 174499861) is bis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene.
What is the SMILES notation for bis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene?
The canonical SMILES for bis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene is Fc1cc(F)cc(F)c1.[Ti+2].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene?
The InChIKey is ZVLDJTMJQSNRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3.2C5H5.Ti/c7-4-1-5(8)3-6(9)2-4;2*1-2-4-5-3-1;/h1-3H;2*1-5H;/q;2*-1;+2.
What are the key properties of bis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene?
bis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene has a molecular weight of 310.14 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);titanium(2+);1,3,5-trifluorobenzene is sourced from PubChem (CID 174499861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).