diphenylstibanyl 4-fluorobenzoate

C19H14FO2Sb — CID 23234472

IUPACdiphenylstibanyl 4-fluorobenzoate
SMILESO=C(O[Sb](c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C7H5FO2.2C6H5.Sb/c8-6-3-1-5(2-4-6)7(9)10;2*1-2-4-6-5-3-1;/h1-4H,(H,9,10);2*1-5H;/q;;;+1/p-1
InChIKeySRVFCLYVOCLICE-UHFFFAOYSA-M
MW415.08 g/mol
LogP2.79
Rot. Bonds4

About diphenylstibanyl 4-fluorobenzoate

diphenylstibanyl 4-fluorobenzoate (PubChem CID 23234472) has the molecular formula C19H14FO2Sb and a molecular weight of 415.08 g/mol. Its IUPAC name is diphenylstibanyl 4-fluorobenzoate.

Molecular Properties

Compound Namediphenylstibanyl 4-fluorobenzoate
PubChem CID23234472
Molecular FormulaC19H14FO2Sb
Molecular Weight415.08 g/mol
Exact Mass414.00
IUPAC Namediphenylstibanyl 4-fluorobenzoate
SMILESO=C(O[Sb](c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C7H5FO2.2C6H5.Sb/c8-6-3-1-5(2-4-6)7(9)10;2*1-2-4-6-5-3-1;/h1-4H,(H,9,10);2*1-5H;/q;;;+1/p-1
InChIKeySRVFCLYVOCLICE-UHFFFAOYSA-M
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.08
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
fluoro 4-fluorobenzoate
CID 145480473
(4-fluorophenyl)-phenylmethanone
CID 161464622
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
(2-hydroxyphenyl) 4-fluorobenzoate
CID 91711747
ethenyl 4-fluorobenzoate
CID 54757351
(2-phenylacetyl) 4-fluorobenzoate
CID 174678547
CID 170307924
CID 170307924
[benzoyloxy-(4-fluorophenyl)-λ3-iodanyl] benzoate
CID 176845295
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
4-(4-fluorobenzoyl)oxybenzoic acid
CID 54854967
[2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606526

Frequently Asked Questions

What is the IUPAC name of diphenylstibanyl 4-fluorobenzoate?
The IUPAC name of diphenylstibanyl 4-fluorobenzoate (CID 23234472) is diphenylstibanyl 4-fluorobenzoate.
What is the SMILES notation for diphenylstibanyl 4-fluorobenzoate?
The canonical SMILES for diphenylstibanyl 4-fluorobenzoate is O=C(O[Sb](c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of diphenylstibanyl 4-fluorobenzoate?
The InChIKey is SRVFCLYVOCLICE-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5FO2.2C6H5.Sb/c8-6-3-1-5(2-4-6)7(9)10;2*1-2-4-6-5-3-1;/h1-4H,(H,9,10);2*1-5H;/q;;;+1/p-1.
What are the key properties of diphenylstibanyl 4-fluorobenzoate?
diphenylstibanyl 4-fluorobenzoate has a molecular weight of 415.08 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylstibanyl 4-fluorobenzoate is sourced from PubChem (CID 23234472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).