(4-bromo-2-formylphenyl) 2-fluorobenzoate

C14H8BrFO3 — CID 1331601

IUPAC(4-bromo-2-formylphenyl) 2-fluorobenzoate
SMILESO=Cc1cc(Br)ccc1OC(=O)c1ccccc1F
InChIInChI=1S/C14H8BrFO3/c15-10-5-6-13(9(7-10)8-17)19-14(18)11-3-1-2-4-12(11)16/h1-8H
InChIKeyMEATWKWSNSDEFL-UHFFFAOYSA-N
MW323.12 g/mol
LogP3.62
Rot. Bonds3

About (4-bromo-2-formylphenyl) 2-fluorobenzoate

(4-bromo-2-formylphenyl) 2-fluorobenzoate (PubChem CID 1331601) has the molecular formula C14H8BrFO3 and a molecular weight of 323.12 g/mol. Its IUPAC name is (4-bromo-2-formylphenyl) 2-fluorobenzoate.

Molecular Properties

Compound Name(4-bromo-2-formylphenyl) 2-fluorobenzoate
PubChem CID1331601
Molecular FormulaC14H8BrFO3
Molecular Weight323.12 g/mol
Exact Mass321.96
IUPAC Name(4-bromo-2-formylphenyl) 2-fluorobenzoate
SMILESO=Cc1cc(Br)ccc1OC(=O)c1ccccc1F
InChIInChI=1S/C14H8BrFO3/c15-10-5-6-13(9(7-10)8-17)19-14(18)11-3-1-2-4-12(11)16/h1-8H
InChIKeyMEATWKWSNSDEFL-UHFFFAOYSA-N
XLogP3.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-bromo-2-formylphenyl) 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-dibromophenyl) 2-fluorobenzoate
CID 23011822
(4-bromo-2-chlorophenyl) 2-fluorobenzoate
CID 23011823
(4-bromo-2-formylphenyl) 3-bromobenzoate
CID 4766842
(2-fluorophenyl) 5-bromo-2-fluorobenzoate
CID 78777005
(4-bromo-2-formylphenyl) 5-bromo-2-ethoxybenzoate
CID 23012866
[2-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate
CID 6123955
(2-bromo-4-methylphenyl) 2-fluorobenzoate
CID 23011824
[4-bromo-2-(morpholine-4-carbothioyl)phenyl] 2-fluorobenzoate
CID 1330053
[4-bromo-2-[[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 4155422
(1-formylnaphthalen-2-yl) 2-fluorobenzoate
CID 40567233
(4-bromo-2-formylphenyl) 2,2-dimethylpropanoate
CID 134095044
2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 7820166

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-formylphenyl) 2-fluorobenzoate?
The IUPAC name of (4-bromo-2-formylphenyl) 2-fluorobenzoate (CID 1331601) is (4-bromo-2-formylphenyl) 2-fluorobenzoate.
What is the SMILES notation for (4-bromo-2-formylphenyl) 2-fluorobenzoate?
The canonical SMILES for (4-bromo-2-formylphenyl) 2-fluorobenzoate is O=Cc1cc(Br)ccc1OC(=O)c1ccccc1F.
What is the InChIKey of (4-bromo-2-formylphenyl) 2-fluorobenzoate?
The InChIKey is MEATWKWSNSDEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFO3/c15-10-5-6-13(9(7-10)8-17)19-14(18)11-3-1-2-4-12(11)16/h1-8H.
What are the key properties of (4-bromo-2-formylphenyl) 2-fluorobenzoate?
(4-bromo-2-formylphenyl) 2-fluorobenzoate has a molecular weight of 323.12 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-formylphenyl) 2-fluorobenzoate is sourced from PubChem (CID 1331601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).