titanium(3+);2,2,2-trichloroethanol;trichloride

C2H3Cl6OTi — CID 159058445

IUPACtitanium(3+);2,2,2-trichloroethanol;trichloride
SMILESOCC(Cl)(Cl)Cl.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C2H3Cl3O.3ClH.Ti/c3-2(4,5)1-6;;;;/h6H,1H2;3*1H;/q;;;;+3/p-3
InChIKeyMZPFLLRHQKRNHN-UHFFFAOYSA-K
MW303.63 g/mol
LogP-7.64
Rot. Bonds

About titanium(3+);2,2,2-trichloroethanol;trichloride

titanium(3+);2,2,2-trichloroethanol;trichloride (PubChem CID 159058445) has the molecular formula C2H3Cl6OTi and a molecular weight of 303.63 g/mol. Its IUPAC name is titanium(3+);2,2,2-trichloroethanol;trichloride.

Molecular Properties

Compound Nametitanium(3+);2,2,2-trichloroethanol;trichloride
PubChem CID159058445
Molecular FormulaC2H3Cl6OTi
Molecular Weight303.63 g/mol
Exact Mass300.78
IUPAC Nametitanium(3+);2,2,2-trichloroethanol;trichloride
SMILESOCC(Cl)(Cl)Cl.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C2H3Cl3O.3ClH.Ti/c3-2(4,5)1-6;;;;/h6H,1H2;3*1H;/q;;;;+3/p-3
InChIKeyMZPFLLRHQKRNHN-UHFFFAOYSA-K
XLogP-7.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 5-7.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Trichloroethanol
CID 8259
Dichloro(2,2,2-trichloroethoxy) chromium(III)
CID 129837876
Potassium;2,2,2-trichloroethanol;chloride
CID 18183728
2,2,2-Trichloroethanol;hydrochloride
CID 18981552
Chloroform;2,2,2-trichloroethanol
CID 19080013
Calcium;2,2,2-trichloroethanol;dichloride
CID 22448417
2,2,2-Trichloroethanol-d2
CID 54007405
Titanium;2,2,2-trichloroethanol
CID 71436889
Titanium;2,2,2-trichloroethanol
CID 78070084
2,2,2-Trichloro-1-deuterioethanol
CID 87342803
1,1,1-Trichloro-2-deuteriooxyethane
CID 91006735
2,2,2-Trichloroethanol-13C2,D2
CID 57369139

Frequently Asked Questions

What is the IUPAC name of titanium(3+);2,2,2-trichloroethanol;trichloride?
The IUPAC name of titanium(3+);2,2,2-trichloroethanol;trichloride (CID 159058445) is titanium(3+);2,2,2-trichloroethanol;trichloride.
What is the SMILES notation for titanium(3+);2,2,2-trichloroethanol;trichloride?
The canonical SMILES for titanium(3+);2,2,2-trichloroethanol;trichloride is OCC(Cl)(Cl)Cl.[Cl-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of titanium(3+);2,2,2-trichloroethanol;trichloride?
The InChIKey is MZPFLLRHQKRNHN-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H3Cl3O.3ClH.Ti/c3-2(4,5)1-6;;;;/h6H,1H2;3*1H;/q;;;;+3/p-3.
What are the key properties of titanium(3+);2,2,2-trichloroethanol;trichloride?
titanium(3+);2,2,2-trichloroethanol;trichloride has a molecular weight of 303.63 g/mol, XLogP of -7.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for titanium(3+);2,2,2-trichloroethanol;trichloride is sourced from PubChem (CID 159058445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).