tetrakis(acetonitrile);trichlorotitanium

C8H12Cl3N4Ti — CID 57404109

IUPACtetrakis(acetonitrile);trichlorotitanium
SMILESCC#N.CC#N.CC#N.CC#N.Cl[Ti](Cl)Cl
InChIInChI=1S/4C2H3N.3ClH.Ti/c4*1-2-3;;;;/h4*1H3;3*1H;/q;;;;;;;+3/p-3
InChIKeyJAXZIIHJJFSCEB-UHFFFAOYSA-K
MW318.44 g/mol
LogP4.19
Rot. Bonds

About tetrakis(acetonitrile);trichlorotitanium

tetrakis(acetonitrile);trichlorotitanium (PubChem CID 57404109) has the molecular formula C8H12Cl3N4Ti and a molecular weight of 318.44 g/mol. Its IUPAC name is tetrakis(acetonitrile);trichlorotitanium.

Molecular Properties

Compound Nametetrakis(acetonitrile);trichlorotitanium
PubChem CID57404109
Molecular FormulaC8H12Cl3N4Ti
Molecular Weight318.44 g/mol
Exact Mass316.96
IUPAC Nametetrakis(acetonitrile);trichlorotitanium
SMILESCC#N.CC#N.CC#N.CC#N.Cl[Ti](Cl)Cl
InChIInChI=1S/4C2H3N.3ClH.Ti/c4*1-2-3;;;;/h4*1H3;3*1H;/q;;;;;;;+3/p-3
InChIKeyJAXZIIHJJFSCEB-UHFFFAOYSA-K
XLogP4.19
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

acetonitrile;triacontahydrate
CID 141398921
acetonitrile;hydron
CID 22154984
tris(acetonitrile);chromium
CID 160909173
acetonitrile;alumane
CID 174397920
tris(acetonitrile);zirconium
CID 159931297
acetonitrile;molecular nitrogen
CID 142623537
trichlorotitanium;tetrahydrate
CID 141398745
acetonitrile;trichloroborane
CID 22369236
acetonitrile;chloroform
CID 22555007
acetonitrile;dichlorocobalt
CID 158125017
(acetonitrile);(dichloromethane)
CID 173205533
bis(acetonitrile);tetrachlorotitanium
CID 14833458

Frequently Asked Questions

What is the IUPAC name of tetrakis(acetonitrile);trichlorotitanium?
The IUPAC name of tetrakis(acetonitrile);trichlorotitanium (CID 57404109) is tetrakis(acetonitrile);trichlorotitanium.
What is the SMILES notation for tetrakis(acetonitrile);trichlorotitanium?
The canonical SMILES for tetrakis(acetonitrile);trichlorotitanium is CC#N.CC#N.CC#N.CC#N.Cl[Ti](Cl)Cl.
What is the InChIKey of tetrakis(acetonitrile);trichlorotitanium?
The InChIKey is JAXZIIHJJFSCEB-UHFFFAOYSA-K. The full InChI is InChI=1S/4C2H3N.3ClH.Ti/c4*1-2-3;;;;/h4*1H3;3*1H;/q;;;;;;;+3/p-3.
What are the key properties of tetrakis(acetonitrile);trichlorotitanium?
tetrakis(acetonitrile);trichlorotitanium has a molecular weight of 318.44 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(acetonitrile);trichlorotitanium is sourced from PubChem (CID 57404109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).