tributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane

C22H36FN3Sn — CID 58926480

IUPACtributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nnn(-c2ccc(C)cc2F)c1C
InChIInChI=1S/C10H9FN3.3C4H9.Sn/c1-7-3-4-10(9(11)5-7)14-8(2)6-12-13-14;3*1-3-4-2;/h3-5H,1-2H3;3*1,3-4H2,2H3;
InChIKeyKYNQHAYOTMGHLF-UHFFFAOYSA-N
MW480.26 g/mol
LogP6.08
Rot. Bonds11

About tributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane

tributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane (PubChem CID 58926480) has the molecular formula C22H36FN3Sn and a molecular weight of 480.26 g/mol. Its IUPAC name is tributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane.

Molecular Properties

Compound Nametributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane
PubChem CID58926480
Molecular FormulaC22H36FN3Sn
Molecular Weight480.26 g/mol
Exact Mass481.19
IUPAC Nametributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nnn(-c2ccc(C)cc2F)c1C
InChIInChI=1S/C10H9FN3.3C4H9.Sn/c1-7-3-4-10(9(11)5-7)14-8(2)6-12-13-14;3*1-3-4-2;/h3-5H,1-2H3;3*1,3-4H2,2H3;
InChIKeyKYNQHAYOTMGHLF-UHFFFAOYSA-N
XLogP6.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.26
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane?
The IUPAC name of tributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane (CID 58926480) is tributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane.
What is the SMILES notation for tributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane?
The canonical SMILES for tributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1nnn(-c2ccc(C)cc2F)c1C.
What is the InChIKey of tributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane?
The InChIKey is KYNQHAYOTMGHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN3.3C4H9.Sn/c1-7-3-4-10(9(11)5-7)14-8(2)6-12-13-14;3*1-3-4-2;/h3-5H,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane?
tributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane has a molecular weight of 480.26 g/mol, XLogP of 6.08, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane is sourced from PubChem (CID 58926480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).