acetonitrile;titanium;tetrahydrochloride

C2H7Cl4NTi — CID 174375808

IUPACacetonitrile;titanium;tetrahydrochloride
SMILESCC#N.Cl.Cl.Cl.Cl.[Ti]
InChIInChI=1S/C2H3N.4ClH.Ti/c1-2-3;;;;;/h1H3;4*1H;
InChIKeyDQRXCPXGTYNWHF-UHFFFAOYSA-N
MW234.76 g/mol
LogP2.21
Rot. Bonds

About acetonitrile;titanium;tetrahydrochloride

acetonitrile;titanium;tetrahydrochloride (PubChem CID 174375808) has the molecular formula C2H7Cl4NTi and a molecular weight of 234.76 g/mol. Its IUPAC name is acetonitrile;titanium;tetrahydrochloride.

Molecular Properties

Compound Nameacetonitrile;titanium;tetrahydrochloride
PubChem CID174375808
Molecular FormulaC2H7Cl4NTi
Molecular Weight234.76 g/mol
Exact Mass232.88
IUPAC Nameacetonitrile;titanium;tetrahydrochloride
SMILESCC#N.Cl.Cl.Cl.Cl.[Ti]
InChIInChI=1S/C2H3N.4ClH.Ti/c1-2-3;;;;;/h1H3;4*1H;
InChIKeyDQRXCPXGTYNWHF-UHFFFAOYSA-N
XLogP2.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.76
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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acetonitrile;alumane
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Frequently Asked Questions

What is the IUPAC name of acetonitrile;titanium;tetrahydrochloride?
The IUPAC name of acetonitrile;titanium;tetrahydrochloride (CID 174375808) is acetonitrile;titanium;tetrahydrochloride.
What is the SMILES notation for acetonitrile;titanium;tetrahydrochloride?
The canonical SMILES for acetonitrile;titanium;tetrahydrochloride is CC#N.Cl.Cl.Cl.Cl.[Ti].
What is the InChIKey of acetonitrile;titanium;tetrahydrochloride?
The InChIKey is DQRXCPXGTYNWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.4ClH.Ti/c1-2-3;;;;;/h1H3;4*1H;.
What are the key properties of acetonitrile;titanium;tetrahydrochloride?
acetonitrile;titanium;tetrahydrochloride has a molecular weight of 234.76 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;titanium;tetrahydrochloride is sourced from PubChem (CID 174375808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).