[[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate

C22H26F4O5Sn2 — CID 16683196

IUPAC[[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate
SMILESCC[Sn](CC)(OC(=O)c1c(F)cccc1F)O[Sn](CC)(CC)OC(=O)c1c(F)cccc1F
InChIInChI=1S/2C7H4F2O2.4C2H5.O.2Sn/c2*8-4-2-1-3-5(9)6(4)7(10)11;4*1-2;;;/h2*1-3H,(H,10,11);4*1H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyJZGXIXXBIRSRTK-UHFFFAOYSA-L
MW683.86 g/mol
LogP6.24
Rot. Bonds10

About [[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate

[[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate (PubChem CID 16683196) has the molecular formula C22H26F4O5Sn2 and a molecular weight of 683.86 g/mol. Its IUPAC name is [[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate.

Molecular Properties

Compound Name[[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate
PubChem CID16683196
Molecular FormulaC22H26F4O5Sn2
Molecular Weight683.86 g/mol
Exact Mass685.98
IUPAC Name[[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate
SMILESCC[Sn](CC)(OC(=O)c1c(F)cccc1F)O[Sn](CC)(CC)OC(=O)c1c(F)cccc1F
InChIInChI=1S/2C7H4F2O2.4C2H5.O.2Sn/c2*8-4-2-1-3-5(9)6(4)7(10)11;4*1-2;;;/h2*1-3H,(H,10,11);4*1H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyJZGXIXXBIRSRTK-UHFFFAOYSA-L
XLogP6.24
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.86
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate 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 [[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate?
The IUPAC name of [[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate (CID 16683196) is [[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate.
What is the SMILES notation for [[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate?
The canonical SMILES for [[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate is CC[Sn](CC)(OC(=O)c1c(F)cccc1F)O[Sn](CC)(CC)OC(=O)c1c(F)cccc1F.
What is the InChIKey of [[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate?
The InChIKey is JZGXIXXBIRSRTK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H4F2O2.4C2H5.O.2Sn/c2*8-4-2-1-3-5(9)6(4)7(10)11;4*1-2;;;/h2*1-3H,(H,10,11);4*1H2,2H3;;;/q;;;;;;;2*+1/p-2.
What are the key properties of [[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate?
[[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate has a molecular weight of 683.86 g/mol, XLogP of 6.24, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate is sourced from PubChem (CID 16683196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).