propan-2-olate;trichlorotitanium(1+)

C3H7Cl3OTi — CID 14268138

IUPACpropan-2-olate;trichlorotitanium(1+)
SMILESCC(C)[O-].Cl[Ti+](Cl)Cl
InChIInChI=1S/C3H7O.3ClH.Ti/c1-3(2)4;;;;/h3H,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyFLALGSYYVIWTFQ-UHFFFAOYSA-K
MW213.31 g/mol
LogP1.82
Rot. Bonds

About propan-2-olate;trichlorotitanium(1+)

propan-2-olate;trichlorotitanium(1+) (PubChem CID 14268138) has the molecular formula C3H7Cl3OTi and a molecular weight of 213.31 g/mol. Its IUPAC name is propan-2-olate;trichlorotitanium(1+).

Molecular Properties

Compound Namepropan-2-olate;trichlorotitanium(1+)
PubChem CID14268138
Molecular FormulaC3H7Cl3OTi
Molecular Weight213.31 g/mol
Exact Mass211.90
IUPAC Namepropan-2-olate;trichlorotitanium(1+)
SMILESCC(C)[O-].Cl[Ti+](Cl)Cl
InChIInChI=1S/C3H7O.3ClH.Ti/c1-3(2)4;;;;/h3H,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyFLALGSYYVIWTFQ-UHFFFAOYSA-K
XLogP1.82
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze propan-2-olate;trichlorotitanium(1+) 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 propan-2-olate;trichlorotitanium(1+)?
The IUPAC name of propan-2-olate;trichlorotitanium(1+) (CID 14268138) is propan-2-olate;trichlorotitanium(1+).
What is the SMILES notation for propan-2-olate;trichlorotitanium(1+)?
The canonical SMILES for propan-2-olate;trichlorotitanium(1+) is CC(C)[O-].Cl[Ti+](Cl)Cl.
What is the InChIKey of propan-2-olate;trichlorotitanium(1+)?
The InChIKey is FLALGSYYVIWTFQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H7O.3ClH.Ti/c1-3(2)4;;;;/h3H,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of propan-2-olate;trichlorotitanium(1+)?
propan-2-olate;trichlorotitanium(1+) has a molecular weight of 213.31 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-olate;trichlorotitanium(1+) is sourced from PubChem (CID 14268138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).