tributyl-(4-fluoro-1-methylindazol-3-yl)stannane

C20H33FN2Sn — CID 174732024

IUPACtributyl-(4-fluoro-1-methylindazol-3-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nn(C)c2cccc(F)c12
InChIInChI=1S/C8H6FN2.3C4H9.Sn/c1-11-8-4-2-3-7(9)6(8)5-10-11;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3;
InChIKeyRUELYSHMIAINGO-UHFFFAOYSA-N
MW439.21 g/mol
LogP5.77
Rot. Bonds10

About tributyl-(4-fluoro-1-methylindazol-3-yl)stannane

tributyl-(4-fluoro-1-methylindazol-3-yl)stannane (PubChem CID 174732024) has the molecular formula C20H33FN2Sn and a molecular weight of 439.21 g/mol. Its IUPAC name is tributyl-(4-fluoro-1-methylindazol-3-yl)stannane.

Molecular Properties

Compound Nametributyl-(4-fluoro-1-methylindazol-3-yl)stannane
PubChem CID174732024
Molecular FormulaC20H33FN2Sn
Molecular Weight439.21 g/mol
Exact Mass440.16
IUPAC Nametributyl-(4-fluoro-1-methylindazol-3-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nn(C)c2cccc(F)c12
InChIInChI=1S/C8H6FN2.3C4H9.Sn/c1-11-8-4-2-3-7(9)6(8)5-10-11;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3;
InChIKeyRUELYSHMIAINGO-UHFFFAOYSA-N
XLogP5.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.21
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-(4-fluoro-1-methylindazol-3-yl)stannane?
The IUPAC name of tributyl-(4-fluoro-1-methylindazol-3-yl)stannane (CID 174732024) is tributyl-(4-fluoro-1-methylindazol-3-yl)stannane.
What is the SMILES notation for tributyl-(4-fluoro-1-methylindazol-3-yl)stannane?
The canonical SMILES for tributyl-(4-fluoro-1-methylindazol-3-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1nn(C)c2cccc(F)c12.
What is the InChIKey of tributyl-(4-fluoro-1-methylindazol-3-yl)stannane?
The InChIKey is RUELYSHMIAINGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN2.3C4H9.Sn/c1-11-8-4-2-3-7(9)6(8)5-10-11;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(4-fluoro-1-methylindazol-3-yl)stannane?
tributyl-(4-fluoro-1-methylindazol-3-yl)stannane has a molecular weight of 439.21 g/mol, XLogP of 5.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(4-fluoro-1-methylindazol-3-yl)stannane is sourced from PubChem (CID 174732024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).