[diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate

C18H18F2O4Sn — CID 16683575

IUPAC[diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate
SMILESCC[Sn](CC)(OC(=O)c1ccc(F)cc1)OC(=O)c1ccc(F)cc1
InChIInChI=1S/2C7H5FO2.2C2H5.Sn/c2*8-6-3-1-5(2-4-6)7(9)10;2*1-2;/h2*1-4H,(H,9,10);2*1H2,2H3;/q;;;;+2/p-2
InChIKeyGKNVYQKQEPQPNB-UHFFFAOYSA-L
MW455.05 g/mol
LogP4.46
Rot. Bonds6

About [diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate

[diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate (PubChem CID 16683575) has the molecular formula C18H18F2O4Sn and a molecular weight of 455.05 g/mol. Its IUPAC name is [diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate
PubChem CID16683575
Molecular FormulaC18H18F2O4Sn
Molecular Weight455.05 g/mol
Exact Mass456.02
IUPAC Name[diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate
SMILESCC[Sn](CC)(OC(=O)c1ccc(F)cc1)OC(=O)c1ccc(F)cc1
InChIInChI=1S/2C7H5FO2.2C2H5.Sn/c2*8-6-3-1-5(2-4-6)7(9)10;2*1-2;/h2*1-4H,(H,9,10);2*1H2,2H3;/q;;;;+2/p-2
InChIKeyGKNVYQKQEPQPNB-UHFFFAOYSA-L
XLogP4.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.05
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate?
The IUPAC name of [diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate (CID 16683575) is [diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate.
What is the SMILES notation for [diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate?
The canonical SMILES for [diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate is CC[Sn](CC)(OC(=O)c1ccc(F)cc1)OC(=O)c1ccc(F)cc1.
What is the InChIKey of [diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate?
The InChIKey is GKNVYQKQEPQPNB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H5FO2.2C2H5.Sn/c2*8-6-3-1-5(2-4-6)7(9)10;2*1-2;/h2*1-4H,(H,9,10);2*1H2,2H3;/q;;;;+2/p-2.
What are the key properties of [diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate?
[diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate has a molecular weight of 455.05 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate is sourced from PubChem (CID 16683575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).