tributyl-(6-fluoro-3aH-indol-3-yl)stannane

C20H32FNSn — CID 160938501

IUPACtributyl-(6-fluoro-3aH-indol-3-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1=CN=C2C=C(F)C=CC12
InChIInChI=1S/C8H5FN.3C4H9.Sn/c9-7-2-1-6-3-4-10-8(6)5-7;3*1-3-4-2;/h1-2,4-6H;3*1,3-4H2,2H3;
InChIKeyNREQBSCEXHABPU-UHFFFAOYSA-N
MW424.19 g/mol
LogP6.75
Rot. Bonds10

About tributyl-(6-fluoro-3aH-indol-3-yl)stannane

tributyl-(6-fluoro-3aH-indol-3-yl)stannane (PubChem CID 160938501) has the molecular formula C20H32FNSn and a molecular weight of 424.19 g/mol. Its IUPAC name is tributyl-(6-fluoro-3aH-indol-3-yl)stannane.

Molecular Properties

Compound Nametributyl-(6-fluoro-3aH-indol-3-yl)stannane
PubChem CID160938501
Molecular FormulaC20H32FNSn
Molecular Weight424.19 g/mol
Exact Mass425.15
IUPAC Nametributyl-(6-fluoro-3aH-indol-3-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1=CN=C2C=C(F)C=CC12
InChIInChI=1S/C8H5FN.3C4H9.Sn/c9-7-2-1-6-3-4-10-8(6)5-7;3*1-3-4-2;/h1-2,4-6H;3*1,3-4H2,2H3;
InChIKeyNREQBSCEXHABPU-UHFFFAOYSA-N
XLogP6.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.19
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze tributyl-(6-fluoro-3aH-indol-3-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-(6-fluoro-3aH-indol-3-yl)stannane?
The IUPAC name of tributyl-(6-fluoro-3aH-indol-3-yl)stannane (CID 160938501) is tributyl-(6-fluoro-3aH-indol-3-yl)stannane.
What is the SMILES notation for tributyl-(6-fluoro-3aH-indol-3-yl)stannane?
The canonical SMILES for tributyl-(6-fluoro-3aH-indol-3-yl)stannane is CCCC[Sn](CCCC)(CCCC)C1=CN=C2C=C(F)C=CC12.
What is the InChIKey of tributyl-(6-fluoro-3aH-indol-3-yl)stannane?
The InChIKey is NREQBSCEXHABPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN.3C4H9.Sn/c9-7-2-1-6-3-4-10-8(6)5-7;3*1-3-4-2;/h1-2,4-6H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(6-fluoro-3aH-indol-3-yl)stannane?
tributyl-(6-fluoro-3aH-indol-3-yl)stannane has a molecular weight of 424.19 g/mol, XLogP of 6.75, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(6-fluoro-3aH-indol-3-yl)stannane is sourced from PubChem (CID 160938501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).