[dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxystannyl]oxystannyl] 2,3-difluorobenzoate

C30H42F4O5Sn2 — CID 16683197

IUPAC[dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxystannyl]oxystannyl] 2,3-difluorobenzoate
SMILESCCCC[Sn](CCCC)(OC(=O)c1cccc(F)c1F)O[Sn](CCCC)(CCCC)OC(=O)c1cccc(F)c1F
InChIInChI=1S/2C7H4F2O2.4C4H9.O.2Sn/c2*8-5-3-1-2-4(6(5)9)7(10)11;4*1-3-4-2;;;/h2*1-3H,(H,10,11);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyFCPQKTGLJQPTDZ-UHFFFAOYSA-L
MW796.07 g/mol
LogP9.36
Rot. Bonds18

About [dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxystannyl]oxystannyl] 2,3-difluorobenzoate

[dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxystannyl]oxystannyl] 2,3-difluorobenzoate (PubChem CID 16683197) has the molecular formula C30H42F4O5Sn2 and a molecular weight of 796.07 g/mol. Its IUPAC name is [dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxystannyl]oxystannyl] 2,3-difluorobenzoate.

Molecular Properties

Compound Name[dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxystannyl]oxystannyl] 2,3-difluorobenzoate
PubChem CID16683197
Molecular FormulaC30H42F4O5Sn2
Molecular Weight796.07 g/mol
Exact Mass798.10
IUPAC Name[dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxystannyl]oxystannyl] 2,3-difluorobenzoate
SMILESCCCC[Sn](CCCC)(OC(=O)c1cccc(F)c1F)O[Sn](CCCC)(CCCC)OC(=O)c1cccc(F)c1F
InChIInChI=1S/2C7H4F2O2.4C4H9.O.2Sn/c2*8-5-3-1-2-4(6(5)9)7(10)11;4*1-3-4-2;;;/h2*1-3H,(H,10,11);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyFCPQKTGLJQPTDZ-UHFFFAOYSA-L
XLogP9.36
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.07
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxystannyl]oxystannyl] 2,3-difluorobenzoate?
The IUPAC name of [dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxystannyl]oxystannyl] 2,3-difluorobenzoate (CID 16683197) is [dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxystannyl]oxystannyl] 2,3-difluorobenzoate.
What is the SMILES notation for [dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxystannyl]oxystannyl] 2,3-difluorobenzoate?
The canonical SMILES for [dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxystannyl]oxystannyl] 2,3-difluorobenzoate is CCCC[Sn](CCCC)(OC(=O)c1cccc(F)c1F)O[Sn](CCCC)(CCCC)OC(=O)c1cccc(F)c1F.
What is the InChIKey of [dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxystannyl]oxystannyl] 2,3-difluorobenzoate?
The InChIKey is FCPQKTGLJQPTDZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H4F2O2.4C4H9.O.2Sn/c2*8-5-3-1-2-4(6(5)9)7(10)11;4*1-3-4-2;;;/h2*1-3H,(H,10,11);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2.
What are the key properties of [dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxystannyl]oxystannyl] 2,3-difluorobenzoate?
[dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxystannyl]oxystannyl] 2,3-difluorobenzoate has a molecular weight of 796.07 g/mol, XLogP of 9.36, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl-[dibutyl-(2,3-difluorobenzoyl)oxystannyl]oxystannyl] 2,3-difluorobenzoate is sourced from PubChem (CID 16683197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).