3-(2-bromo-4-fluorophenyl)-2-chloropropanal

C9H7BrClFO — CID 62395523

IUPAC3-(2-bromo-4-fluorophenyl)-2-chloropropanal
SMILESO=CC(Cl)Cc1ccc(F)cc1Br
InChIInChI=1S/C9H7BrClFO/c10-9-4-8(12)2-1-6(9)3-7(11)5-13/h1-2,4-5,7H,3H2
InChIKeyOUKSKOXKIUBRNM-UHFFFAOYSA-N
MW265.51 g/mol
LogP2.94
Rot. Bonds3

About 3-(2-bromo-4-fluorophenyl)-2-chloropropanal

3-(2-bromo-4-fluorophenyl)-2-chloropropanal (PubChem CID 62395523) has the molecular formula C9H7BrClFO and a molecular weight of 265.51 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenyl)-2-chloropropanal.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenyl)-2-chloropropanal
PubChem CID62395523
Molecular FormulaC9H7BrClFO
Molecular Weight265.51 g/mol
Exact Mass263.94
IUPAC Name3-(2-bromo-4-fluorophenyl)-2-chloropropanal
SMILESO=CC(Cl)Cc1ccc(F)cc1Br
InChIInChI=1S/C9H7BrClFO/c10-9-4-8(12)2-1-6(9)3-7(11)5-13/h1-2,4-5,7H,3H2
InChIKeyOUKSKOXKIUBRNM-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.51
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene
CID 79447558
3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol
CID 112575189
1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 63420117
2-chloro-3-(2-fluorophenyl)propanal
CID 62393370
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385
1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
2-bromo-1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-4-fluorobenzene
CID 66035029
1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 62605952
1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547417
1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 63410897
3-bromo-2-[(2-bromo-4-fluorophenyl)methyl]propanenitrile
CID 63215666
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
CID 115843237

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenyl)-2-chloropropanal?
The IUPAC name of 3-(2-bromo-4-fluorophenyl)-2-chloropropanal (CID 62395523) is 3-(2-bromo-4-fluorophenyl)-2-chloropropanal.
What is the SMILES notation for 3-(2-bromo-4-fluorophenyl)-2-chloropropanal?
The canonical SMILES for 3-(2-bromo-4-fluorophenyl)-2-chloropropanal is O=CC(Cl)Cc1ccc(F)cc1Br.
What is the InChIKey of 3-(2-bromo-4-fluorophenyl)-2-chloropropanal?
The InChIKey is OUKSKOXKIUBRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFO/c10-9-4-8(12)2-1-6(9)3-7(11)5-13/h1-2,4-5,7H,3H2.
What are the key properties of 3-(2-bromo-4-fluorophenyl)-2-chloropropanal?
3-(2-bromo-4-fluorophenyl)-2-chloropropanal has a molecular weight of 265.51 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenyl)-2-chloropropanal is sourced from PubChem (CID 62395523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).