dichlorotitanium;formamide

CH3Cl2NOTi — CID 174487776

IUPACdichlorotitanium;formamide
SMILESCl[Ti]Cl.NC=O
InChIInChI=1S/CH3NO.2ClH.Ti/c2-1-3;;;/h1H,(H2,2,3);2*1H;/q;;;+2/p-2
InChIKeyDARREVGLFQGLGP-UHFFFAOYSA-L
MW163.81 g/mol
LogP0.48
Rot. Bonds

About dichlorotitanium;formamide

dichlorotitanium;formamide (PubChem CID 174487776) has the molecular formula CH3Cl2NOTi and a molecular weight of 163.81 g/mol. Its IUPAC name is dichlorotitanium;formamide.

Molecular Properties

Compound Namedichlorotitanium;formamide
PubChem CID174487776
Molecular FormulaCH3Cl2NOTi
Molecular Weight163.81 g/mol
Exact Mass162.91
IUPAC Namedichlorotitanium;formamide
SMILESCl[Ti]Cl.NC=O
InChIInChI=1S/CH3NO.2ClH.Ti/c2-1-3;;;/h1H,(H2,2,3);2*1H;/q;;;+2/p-2
InChIKeyDARREVGLFQGLGP-UHFFFAOYSA-L
XLogP0.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.81
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;formamide?
The IUPAC name of dichlorotitanium;formamide (CID 174487776) is dichlorotitanium;formamide.
What is the SMILES notation for dichlorotitanium;formamide?
The canonical SMILES for dichlorotitanium;formamide is Cl[Ti]Cl.NC=O.
What is the InChIKey of dichlorotitanium;formamide?
The InChIKey is DARREVGLFQGLGP-UHFFFAOYSA-L. The full InChI is InChI=1S/CH3NO.2ClH.Ti/c2-1-3;;;/h1H,(H2,2,3);2*1H;/q;;;+2/p-2.
What are the key properties of dichlorotitanium;formamide?
dichlorotitanium;formamide has a molecular weight of 163.81 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;formamide is sourced from PubChem (CID 174487776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).