titanium;2,2,2-trichloroethanol

C2H3Cl3OTi — CID 78070084

IUPACtitanium;2,2,2-trichloroethanol
SMILESOCC(Cl)(Cl)Cl.[Ti]
InChIInChI=1S/C2H3Cl3O.Ti/c3-2(4,5)1-6;/h6H,1H2;
InChIKeyNUJUNWVAEPALKD-UHFFFAOYSA-N
MW197.27 g/mol
LogP1.35
Rot. Bonds

About titanium;2,2,2-trichloroethanol

titanium;2,2,2-trichloroethanol (PubChem CID 78070084) has the molecular formula C2H3Cl3OTi and a molecular weight of 197.27 g/mol. Its IUPAC name is titanium;2,2,2-trichloroethanol.

Molecular Properties

Compound Nametitanium;2,2,2-trichloroethanol
PubChem CID78070084
Molecular FormulaC2H3Cl3OTi
Molecular Weight197.27 g/mol
Exact Mass195.87
IUPAC Nametitanium;2,2,2-trichloroethanol
SMILESOCC(Cl)(Cl)Cl.[Ti]
InChIInChI=1S/C2H3Cl3O.Ti/c3-2(4,5)1-6;/h6H,1H2;
InChIKeyNUJUNWVAEPALKD-UHFFFAOYSA-N
XLogP1.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of titanium;2,2,2-trichloroethanol?
The IUPAC name of titanium;2,2,2-trichloroethanol (CID 78070084) is titanium;2,2,2-trichloroethanol.
What is the SMILES notation for titanium;2,2,2-trichloroethanol?
The canonical SMILES for titanium;2,2,2-trichloroethanol is OCC(Cl)(Cl)Cl.[Ti].
What is the InChIKey of titanium;2,2,2-trichloroethanol?
The InChIKey is NUJUNWVAEPALKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl3O.Ti/c3-2(4,5)1-6;/h6H,1H2;.
What are the key properties of titanium;2,2,2-trichloroethanol?
titanium;2,2,2-trichloroethanol has a molecular weight of 197.27 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for titanium;2,2,2-trichloroethanol is sourced from PubChem (CID 78070084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).