acetonitrile;titanium(4+);tetrachloride

C2H3Cl4NTi — CID 174780013

IUPACacetonitrile;titanium(4+);tetrachloride
SMILESCC#N.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C2H3N.4ClH.Ti/c1-2-3;;;;;/h1H3;4*1H;/q;;;;;+4/p-4
InChIKeyDOUPEWDPALTIDL-UHFFFAOYSA-J
MW230.73 g/mol
LogP-11.46
Rot. Bonds

About acetonitrile;titanium(4+);tetrachloride

acetonitrile;titanium(4+);tetrachloride (PubChem CID 174780013) has the molecular formula C2H3Cl4NTi and a molecular weight of 230.73 g/mol. Its IUPAC name is acetonitrile;titanium(4+);tetrachloride.

Molecular Properties

Compound Nameacetonitrile;titanium(4+);tetrachloride
PubChem CID174780013
Molecular FormulaC2H3Cl4NTi
Molecular Weight230.73 g/mol
Exact Mass228.85
IUPAC Nameacetonitrile;titanium(4+);tetrachloride
SMILESCC#N.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C2H3N.4ClH.Ti/c1-2-3;;;;;/h1H3;4*1H;/q;;;;;+4/p-4
InChIKeyDOUPEWDPALTIDL-UHFFFAOYSA-J
XLogP-11.46
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.73
LogP ≤ 5-11.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;titanium(4+);tetrachloride?
The IUPAC name of acetonitrile;titanium(4+);tetrachloride (CID 174780013) is acetonitrile;titanium(4+);tetrachloride.
What is the SMILES notation for acetonitrile;titanium(4+);tetrachloride?
The canonical SMILES for acetonitrile;titanium(4+);tetrachloride is CC#N.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of acetonitrile;titanium(4+);tetrachloride?
The InChIKey is DOUPEWDPALTIDL-UHFFFAOYSA-J. The full InChI is InChI=1S/C2H3N.4ClH.Ti/c1-2-3;;;;;/h1H3;4*1H;/q;;;;;+4/p-4.
What are the key properties of acetonitrile;titanium(4+);tetrachloride?
acetonitrile;titanium(4+);tetrachloride has a molecular weight of 230.73 g/mol, XLogP of -11.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;titanium(4+);tetrachloride is sourced from PubChem (CID 174780013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).