triphenylstannyl 4-fluorobenzoate

C25H19FO2Sn — CID 16712016

IUPACtriphenylstannyl 4-fluorobenzoate
SMILESO=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C7H5FO2.3C6H5.Sn/c8-6-3-1-5(2-4-6)7(9)10;3*1-2-4-6-5-3-1;/h1-4H,(H,9,10);3*1-5H;/q;;;;+1/p-1
InChIKeyDCQLMTZKEFBEGM-UHFFFAOYSA-M
MW489.13 g/mol
LogP3.65
Rot. Bonds5

About triphenylstannyl 4-fluorobenzoate

triphenylstannyl 4-fluorobenzoate (PubChem CID 16712016) has the molecular formula C25H19FO2Sn and a molecular weight of 489.13 g/mol. Its IUPAC name is triphenylstannyl 4-fluorobenzoate.

Molecular Properties

Compound Nametriphenylstannyl 4-fluorobenzoate
PubChem CID16712016
Molecular FormulaC25H19FO2Sn
Molecular Weight489.13 g/mol
Exact Mass490.04
IUPAC Nametriphenylstannyl 4-fluorobenzoate
SMILESO=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C7H5FO2.3C6H5.Sn/c8-6-3-1-5(2-4-6)7(9)10;3*1-2-4-6-5-3-1;/h1-4H,(H,9,10);3*1-5H;/q;;;;+1/p-1
InChIKeyDCQLMTZKEFBEGM-UHFFFAOYSA-M
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.13
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of triphenylstannyl 4-fluorobenzoate?
The IUPAC name of triphenylstannyl 4-fluorobenzoate (CID 16712016) is triphenylstannyl 4-fluorobenzoate.
What is the SMILES notation for triphenylstannyl 4-fluorobenzoate?
The canonical SMILES for triphenylstannyl 4-fluorobenzoate is O=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of triphenylstannyl 4-fluorobenzoate?
The InChIKey is DCQLMTZKEFBEGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5FO2.3C6H5.Sn/c8-6-3-1-5(2-4-6)7(9)10;3*1-2-4-6-5-3-1;/h1-4H,(H,9,10);3*1-5H;/q;;;;+1/p-1.
What are the key properties of triphenylstannyl 4-fluorobenzoate?
triphenylstannyl 4-fluorobenzoate has a molecular weight of 489.13 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylstannyl 4-fluorobenzoate is sourced from PubChem (CID 16712016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).