benzene;trifluorotitanium(1+)

C6H5F3Ti — CID 141461634

IUPACbenzene;trifluorotitanium(1+)
SMILESF[Ti+](F)F.[c-]1ccccc1
InChIInChI=1S/C6H5.3FH.Ti/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q-1;;;;+4/p-3
InChIKeyZMFICGYPKFNBCT-UHFFFAOYSA-K
MW181.97 g/mol
LogP2.74
Rot. Bonds

About benzene;trifluorotitanium(1+)

benzene;trifluorotitanium(1+) (PubChem CID 141461634) has the molecular formula C6H5F3Ti and a molecular weight of 181.97 g/mol. Its IUPAC name is benzene;trifluorotitanium(1+).

Molecular Properties

Compound Namebenzene;trifluorotitanium(1+)
PubChem CID141461634
Molecular FormulaC6H5F3Ti
Molecular Weight181.97 g/mol
Exact Mass181.98
IUPAC Namebenzene;trifluorotitanium(1+)
SMILESF[Ti+](F)F.[c-]1ccccc1
InChIInChI=1S/C6H5.3FH.Ti/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q-1;;;;+4/p-3
InChIKeyZMFICGYPKFNBCT-UHFFFAOYSA-K
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.97
LogP ≤ 52.74
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 benzene;trifluorotitanium(1+)?
The IUPAC name of benzene;trifluorotitanium(1+) (CID 141461634) is benzene;trifluorotitanium(1+).
What is the SMILES notation for benzene;trifluorotitanium(1+)?
The canonical SMILES for benzene;trifluorotitanium(1+) is F[Ti+](F)F.[c-]1ccccc1.
What is the InChIKey of benzene;trifluorotitanium(1+)?
The InChIKey is ZMFICGYPKFNBCT-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H5.3FH.Ti/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q-1;;;;+4/p-3.
What are the key properties of benzene;trifluorotitanium(1+)?
benzene;trifluorotitanium(1+) has a molecular weight of 181.97 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;trifluorotitanium(1+) is sourced from PubChem (CID 141461634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).