bis(acetonitrile);tetrachlorotitanium

C4H6Cl4N2Ti — CID 14833458

IUPACbis(acetonitrile);tetrachlorotitanium
SMILESCC#N.CC#N.Cl[Ti](Cl)(Cl)Cl
InChIInChI=1S/2C2H3N.4ClH.Ti/c2*1-2-3;;;;;/h2*1H3;4*1H;/q;;;;;;+4/p-4
InChIKeyGGTBFQWDDLFSIW-UHFFFAOYSA-J
MW271.79 g/mol
LogP3.82
Rot. Bonds

About bis(acetonitrile);tetrachlorotitanium

bis(acetonitrile);tetrachlorotitanium (PubChem CID 14833458) has the molecular formula C4H6Cl4N2Ti and a molecular weight of 271.79 g/mol. Its IUPAC name is bis(acetonitrile);tetrachlorotitanium.

Molecular Properties

Compound Namebis(acetonitrile);tetrachlorotitanium
PubChem CID14833458
Molecular FormulaC4H6Cl4N2Ti
Molecular Weight271.79 g/mol
Exact Mass269.88
IUPAC Namebis(acetonitrile);tetrachlorotitanium
SMILESCC#N.CC#N.Cl[Ti](Cl)(Cl)Cl
InChIInChI=1S/2C2H3N.4ClH.Ti/c2*1-2-3;;;;;/h2*1H3;4*1H;/q;;;;;;+4/p-4
InChIKeyGGTBFQWDDLFSIW-UHFFFAOYSA-J
XLogP3.82
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);tetrachlorotitanium?
The IUPAC name of bis(acetonitrile);tetrachlorotitanium (CID 14833458) is bis(acetonitrile);tetrachlorotitanium.
What is the SMILES notation for bis(acetonitrile);tetrachlorotitanium?
The canonical SMILES for bis(acetonitrile);tetrachlorotitanium is CC#N.CC#N.Cl[Ti](Cl)(Cl)Cl.
What is the InChIKey of bis(acetonitrile);tetrachlorotitanium?
The InChIKey is GGTBFQWDDLFSIW-UHFFFAOYSA-J. The full InChI is InChI=1S/2C2H3N.4ClH.Ti/c2*1-2-3;;;;;/h2*1H3;4*1H;/q;;;;;;+4/p-4.
What are the key properties of bis(acetonitrile);tetrachlorotitanium?
bis(acetonitrile);tetrachlorotitanium has a molecular weight of 271.79 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);tetrachlorotitanium is sourced from PubChem (CID 14833458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).