titanium;tribromomethanol

CHBr3OTi — CID 87759933

IUPACtitanium;tribromomethanol
SMILESOC(Br)(Br)Br.[Ti]
InChIInChI=1S/CHBr3O.Ti/c2-1(3,4)5;/h5H;
InChIKeyAOBQSWNAMCHSMT-UHFFFAOYSA-N
MW316.60 g/mol
LogP1.77
Rot. Bonds

About titanium;tribromomethanol

titanium;tribromomethanol (PubChem CID 87759933) has the molecular formula CHBr3OTi and a molecular weight of 316.60 g/mol. Its IUPAC name is titanium;tribromomethanol.

Molecular Properties

Compound Nametitanium;tribromomethanol
PubChem CID87759933
Molecular FormulaCHBr3OTi
Molecular Weight316.60 g/mol
Exact Mass313.71
IUPAC Nametitanium;tribromomethanol
SMILESOC(Br)(Br)Br.[Ti]
InChIInChI=1S/CHBr3O.Ti/c2-1(3,4)5;/h5H;
InChIKeyAOBQSWNAMCHSMT-UHFFFAOYSA-N
XLogP1.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.60
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze titanium;tribromomethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of titanium;tribromomethanol?
The IUPAC name of titanium;tribromomethanol (CID 87759933) is titanium;tribromomethanol.
What is the SMILES notation for titanium;tribromomethanol?
The canonical SMILES for titanium;tribromomethanol is OC(Br)(Br)Br.[Ti].
What is the InChIKey of titanium;tribromomethanol?
The InChIKey is AOBQSWNAMCHSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/CHBr3O.Ti/c2-1(3,4)5;/h5H;.
What are the key properties of titanium;tribromomethanol?
titanium;tribromomethanol has a molecular weight of 316.60 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for titanium;tribromomethanol is sourced from PubChem (CID 87759933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).