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

C22H24F4O4Sn — CID 16683576

IUPAC[dibutyl-(2,3-difluorobenzoyl)oxystannyl] 2,3-difluorobenzoate
SMILESCCCC[Sn](CCCC)(OC(=O)c1cccc(F)c1F)OC(=O)c1cccc(F)c1F
InChIInChI=1S/2C7H4F2O2.2C4H9.Sn/c2*8-5-3-1-2-4(6(5)9)7(10)11;2*1-3-4-2;/h2*1-3H,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyNJRFRYBNPJGKEI-UHFFFAOYSA-L
MW547.13 g/mol
LogP6.30
Rot. Bonds10

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

[dibutyl-(2,3-difluorobenzoyl)oxystannyl] 2,3-difluorobenzoate (PubChem CID 16683576) has the molecular formula C22H24F4O4Sn and a molecular weight of 547.13 g/mol. Its IUPAC name is [dibutyl-(2,3-difluorobenzoyl)oxystannyl] 2,3-difluorobenzoate.

Molecular Properties

Compound Name[dibutyl-(2,3-difluorobenzoyl)oxystannyl] 2,3-difluorobenzoate
PubChem CID16683576
Molecular FormulaC22H24F4O4Sn
Molecular Weight547.13 g/mol
Exact Mass548.06
IUPAC Name[dibutyl-(2,3-difluorobenzoyl)oxystannyl] 2,3-difluorobenzoate
SMILESCCCC[Sn](CCCC)(OC(=O)c1cccc(F)c1F)OC(=O)c1cccc(F)c1F
InChIInChI=1S/2C7H4F2O2.2C4H9.Sn/c2*8-5-3-1-2-4(6(5)9)7(10)11;2*1-3-4-2;/h2*1-3H,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyNJRFRYBNPJGKEI-UHFFFAOYSA-L
XLogP6.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.13
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [dibutyl-(2,3-difluorobenzoyl)oxystannyl] 2,3-difluorobenzoate?
The IUPAC name of [dibutyl-(2,3-difluorobenzoyl)oxystannyl] 2,3-difluorobenzoate (CID 16683576) is [dibutyl-(2,3-difluorobenzoyl)oxystannyl] 2,3-difluorobenzoate.
What is the SMILES notation for [dibutyl-(2,3-difluorobenzoyl)oxystannyl] 2,3-difluorobenzoate?
The canonical SMILES for [dibutyl-(2,3-difluorobenzoyl)oxystannyl] 2,3-difluorobenzoate is CCCC[Sn](CCCC)(OC(=O)c1cccc(F)c1F)OC(=O)c1cccc(F)c1F.
What is the InChIKey of [dibutyl-(2,3-difluorobenzoyl)oxystannyl] 2,3-difluorobenzoate?
The InChIKey is NJRFRYBNPJGKEI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H4F2O2.2C4H9.Sn/c2*8-5-3-1-2-4(6(5)9)7(10)11;2*1-3-4-2;/h2*1-3H,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of [dibutyl-(2,3-difluorobenzoyl)oxystannyl] 2,3-difluorobenzoate?
[dibutyl-(2,3-difluorobenzoyl)oxystannyl] 2,3-difluorobenzoate has a molecular weight of 547.13 g/mol, XLogP of 6.30, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl-(2,3-difluorobenzoyl)oxystannyl] 2,3-difluorobenzoate is sourced from PubChem (CID 16683576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).