bis(cyclopenta-1,3-diene);bis(1,4-difluorobenzene-6-ide);titanium(4+)

C22H16F4Ti — CID 154382567

IUPACbis(cyclopenta-1,3-diene);bis(1,4-difluorobenzene-6-ide);titanium(4+)
SMILESFc1[c-]cc(F)cc1.Fc1[c-]cc(F)cc1.[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C6H3F2.2C5H5.Ti/c2*7-5-1-2-6(8)4-3-5;2*1-2-4-5-3-1;/h2*1-3H;2*1-5H;/q4*-1;+4
InChIKeyGFENIFHQIJWRRF-UHFFFAOYSA-N
MW404.23 g/mol
LogP6.34
Rot. Bonds

About bis(cyclopenta-1,3-diene);bis(1,4-difluorobenzene-6-ide);titanium(4+)

bis(cyclopenta-1,3-diene);bis(1,4-difluorobenzene-6-ide);titanium(4+) (PubChem CID 154382567) has the molecular formula C22H16F4Ti and a molecular weight of 404.23 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis(1,4-difluorobenzene-6-ide);titanium(4+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);bis(1,4-difluorobenzene-6-ide);titanium(4+)
PubChem CID154382567
Molecular FormulaC22H16F4Ti
Molecular Weight404.23 g/mol
Exact Mass404.07
IUPAC Namebis(cyclopenta-1,3-diene);bis(1,4-difluorobenzene-6-ide);titanium(4+)
SMILESFc1[c-]cc(F)cc1.Fc1[c-]cc(F)cc1.[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C6H3F2.2C5H5.Ti/c2*7-5-1-2-6(8)4-3-5;2*1-2-4-5-3-1;/h2*1-3H;2*1-5H;/q4*-1;+4
InChIKeyGFENIFHQIJWRRF-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.23
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze bis(cyclopenta-1,3-diene);bis(1,4-difluorobenzene-6-ide);titanium(4+) with MolForge

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Related Compounds

Bis(cyclopentadienyl)diphenyltitanium
CID 12155692
Bis(cyclopentadienyl)dimethyltitanium
CID 14833055
Dicyclopentadienylbis(pentafluorophenyl)zirconium
CID 15398239
Bis(cyclopentadienyl)di-p-tolyltitanium
CID 15477637
Methylene bis(cyclopentadienyl)-titanium
CID 129630600
Bis(cyclopenta-1,3-diene);titanium(4+);difluoride
CID 129657412
Bis(cyclopentadienyl)di-m-tolyltitanium
CID 129665985
Cyclopentadienyltriphenyltitanium
CID 129666325
Dicyclopentadienyltitanium
CID 92881
Cyclopenta-1,3-diene;fluorotitanium(3+);1-fluoro-3-(trifluoromethyl)benzene-2-ide
CID 141554054
Chlorotitanium(3+);cyclopenta-1,3-diene;trifluoromethylbenzene
CID 141554062
Bis(cyclopenta-1,3-diene);bis(1-methyl-2-(trifluoromethyl)benzene-4-ide);titanium(4+)
CID 141554070

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);bis(1,4-difluorobenzene-6-ide);titanium(4+)?
The IUPAC name of bis(cyclopenta-1,3-diene);bis(1,4-difluorobenzene-6-ide);titanium(4+) (CID 154382567) is bis(cyclopenta-1,3-diene);bis(1,4-difluorobenzene-6-ide);titanium(4+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);bis(1,4-difluorobenzene-6-ide);titanium(4+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);bis(1,4-difluorobenzene-6-ide);titanium(4+) is Fc1[c-]cc(F)cc1.Fc1[c-]cc(F)cc1.[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);bis(1,4-difluorobenzene-6-ide);titanium(4+)?
The InChIKey is GFENIFHQIJWRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H3F2.2C5H5.Ti/c2*7-5-1-2-6(8)4-3-5;2*1-2-4-5-3-1;/h2*1-3H;2*1-5H;/q4*-1;+4.
What are the key properties of bis(cyclopenta-1,3-diene);bis(1,4-difluorobenzene-6-ide);titanium(4+)?
bis(cyclopenta-1,3-diene);bis(1,4-difluorobenzene-6-ide);titanium(4+) has a molecular weight of 404.23 g/mol, XLogP of 6.34, 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);bis(1,4-difluorobenzene-6-ide);titanium(4+) is sourced from PubChem (CID 154382567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).