tributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane

C21H34FN3Sn — CID 67055401

IUPACtributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C9H7FN3.3C4H9.Sn/c10-9-4-2-1-3-8(9)7-13-6-5-11-12-13;3*1-3-4-2;/h1-4,6H,7H2;3*1,3-4H2,2H3;
InChIKeyUCMMOMUSMJMLAB-UHFFFAOYSA-N
MW466.23 g/mol
LogP5.52
Rot. Bonds12

About tributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane

tributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane (PubChem CID 67055401) has the molecular formula C21H34FN3Sn and a molecular weight of 466.23 g/mol. Its IUPAC name is tributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane.

Molecular Properties

Compound Nametributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane
PubChem CID67055401
Molecular FormulaC21H34FN3Sn
Molecular Weight466.23 g/mol
Exact Mass467.18
IUPAC Nametributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C9H7FN3.3C4H9.Sn/c10-9-4-2-1-3-8(9)7-13-6-5-11-12-13;3*1-3-4-2;/h1-4,6H,7H2;3*1,3-4H2,2H3;
InChIKeyUCMMOMUSMJMLAB-UHFFFAOYSA-N
XLogP5.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.23
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane 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 tributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane?
The IUPAC name of tributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane (CID 67055401) is tributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane.
What is the SMILES notation for tributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane?
The canonical SMILES for tributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cn(Cc2ccccc2F)nn1.
What is the InChIKey of tributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane?
The InChIKey is UCMMOMUSMJMLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN3.3C4H9.Sn/c10-9-4-2-1-3-8(9)7-13-6-5-11-12-13;3*1-3-4-2;/h1-4,6H,7H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane?
tributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane has a molecular weight of 466.23 g/mol, XLogP of 5.52, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[1-[(2-fluorophenyl)methyl]triazol-4-yl]stannane is sourced from PubChem (CID 67055401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).