[2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate

C15H9BrF2O3 — CID 55339020

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate
SMILESO=C(COC(=O)c1cc(Br)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C15H9BrF2O3/c16-10-3-6-13(18)12(7-10)15(20)21-8-14(19)9-1-4-11(17)5-2-9/h1-7H,8H2
InChIKeyZZTMVOPZBQIBSR-UHFFFAOYSA-N
MW355.13 g/mol
LogP3.77
Rot. Bonds4

About [2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate

[2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate (PubChem CID 55339020) has the molecular formula C15H9BrF2O3 and a molecular weight of 355.13 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate
PubChem CID55339020
Molecular FormulaC15H9BrF2O3
Molecular Weight355.13 g/mol
Exact Mass353.97
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate
SMILESO=C(COC(=O)c1cc(Br)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C15H9BrF2O3/c16-10-3-6-13(18)12(7-10)15(20)21-8-14(19)9-1-4-11(17)5-2-9/h1-7H,8H2
InChIKeyZZTMVOPZBQIBSR-UHFFFAOYSA-N
XLogP3.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.13
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 8803581
[2-(4-bromophenyl)-2-oxoethyl] 4-fluoro-2-methylbenzoate
CID 4675780
ethyl 5-bromo-2-fluorobenzoate
CID 21113016
[2-(diethylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 55338812
bis[2-(4-bromophenyl)-2-oxoethyl] 4,5-dichlorobenzene-1,2-dicarboxylate
CID 3112620
[2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate
CID 19132570
[2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7365642
[2-(4-tert-butylphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7786276
bis[2-(4-bromophenyl)-2-oxoethyl] 2-bromobenzene-1,3-dicarboxylate
CID 2728564
[2-(4-nitrophenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 1421555
4-O-[2-(4-fluorophenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239651
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate
CID 9388030

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate (CID 55339020) is [2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate is O=C(COC(=O)c1cc(Br)ccc1F)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate?
The InChIKey is ZZTMVOPZBQIBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2O3/c16-10-3-6-13(18)12(7-10)15(20)21-8-14(19)9-1-4-11(17)5-2-9/h1-7H,8H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate?
[2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate has a molecular weight of 355.13 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate is sourced from PubChem (CID 55339020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).