titanium(4+);trifluoromethylbenzene;bis((2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane);chloride

C23H30ClF3Si2Ti — CID 173362289

IUPACtitanium(4+);trifluoromethylbenzene;bis((2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane);chloride
SMILESCC1=[C-]C([SiH3])C(C)=C1C.CC1=[C-]C([SiH3])C(C)=C1C.FC(F)(F)c1[c-]cccc1.[Cl-].[Ti+4]
InChIInChI=1S/2C8H13Si.C7H4F3.ClH.Ti/c2*1-5-4-8(9)7(3)6(5)2;8-7(9,10)6-4-2-1-3-5-6;;/h2*8H,1-3,9H3;1-4H;1H;/q3*-1;;+4/p-1
InChIKeyOZGGERJPZQZVGU-UHFFFAOYSA-M
MW502.98 g/mol
LogP1.99
Rot. Bonds

About titanium(4+);trifluoromethylbenzene;bis((2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane);chloride

titanium(4+);trifluoromethylbenzene;bis((2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane);chloride (PubChem CID 173362289) has the molecular formula C23H30ClF3Si2Ti and a molecular weight of 502.98 g/mol. Its IUPAC name is titanium(4+);trifluoromethylbenzene;bis((2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane);chloride.

Molecular Properties

Compound Nametitanium(4+);trifluoromethylbenzene;bis((2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane);chloride
PubChem CID173362289
Molecular FormulaC23H30ClF3Si2Ti
Molecular Weight502.98 g/mol
Exact Mass502.10
IUPAC Nametitanium(4+);trifluoromethylbenzene;bis((2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane);chloride
SMILESCC1=[C-]C([SiH3])C(C)=C1C.CC1=[C-]C([SiH3])C(C)=C1C.FC(F)(F)c1[c-]cccc1.[Cl-].[Ti+4]
InChIInChI=1S/2C8H13Si.C7H4F3.ClH.Ti/c2*1-5-4-8(9)7(3)6(5)2;8-7(9,10)6-4-2-1-3-5-6;;/h2*8H,1-3,9H3;1-4H;1H;/q3*-1;;+4/p-1
InChIKeyOZGGERJPZQZVGU-UHFFFAOYSA-M
XLogP1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.98
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of titanium(4+);trifluoromethylbenzene;bis((2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane);chloride?
The IUPAC name of titanium(4+);trifluoromethylbenzene;bis((2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane);chloride (CID 173362289) is titanium(4+);trifluoromethylbenzene;bis((2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane);chloride.
What is the SMILES notation for titanium(4+);trifluoromethylbenzene;bis((2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane);chloride?
The canonical SMILES for titanium(4+);trifluoromethylbenzene;bis((2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane);chloride is CC1=[C-]C([SiH3])C(C)=C1C.CC1=[C-]C([SiH3])C(C)=C1C.FC(F)(F)c1[c-]cccc1.[Cl-].[Ti+4].
What is the InChIKey of titanium(4+);trifluoromethylbenzene;bis((2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane);chloride?
The InChIKey is OZGGERJPZQZVGU-UHFFFAOYSA-M. The full InChI is InChI=1S/2C8H13Si.C7H4F3.ClH.Ti/c2*1-5-4-8(9)7(3)6(5)2;8-7(9,10)6-4-2-1-3-5-6;;/h2*8H,1-3,9H3;1-4H;1H;/q3*-1;;+4/p-1.
What are the key properties of titanium(4+);trifluoromethylbenzene;bis((2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane);chloride?
titanium(4+);trifluoromethylbenzene;bis((2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane);chloride has a molecular weight of 502.98 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for titanium(4+);trifluoromethylbenzene;bis((2,3,4-trimethylcyclopenta-2,4-dien-1-yl)silane);chloride is sourced from PubChem (CID 173362289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).