5-bromo-2-(2-bromophenoxy)-4-fluoroaniline

C12H8Br2FNO — CID 66112531

IUPAC5-bromo-2-(2-bromophenoxy)-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1Oc1ccccc1Br
InChIInChI=1S/C12H8Br2FNO/c13-7-3-1-2-4-11(7)17-12-6-9(15)8(14)5-10(12)16/h1-6H,16H2
InChIKeyOBLILUZDWHCKFL-UHFFFAOYSA-N
MW361.01 g/mol
LogP4.73
Rot. Bonds2

About 5-bromo-2-(2-bromophenoxy)-4-fluoroaniline

5-bromo-2-(2-bromophenoxy)-4-fluoroaniline (PubChem CID 66112531) has the molecular formula C12H8Br2FNO and a molecular weight of 361.01 g/mol. Its IUPAC name is 5-bromo-2-(2-bromophenoxy)-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-(2-bromophenoxy)-4-fluoroaniline
PubChem CID66112531
Molecular FormulaC12H8Br2FNO
Molecular Weight361.01 g/mol
Exact Mass358.90
IUPAC Name5-bromo-2-(2-bromophenoxy)-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1Oc1ccccc1Br
InChIInChI=1S/C12H8Br2FNO/c13-7-3-1-2-4-11(7)17-12-6-9(15)8(14)5-10(12)16/h1-6H,16H2
InChIKeyOBLILUZDWHCKFL-UHFFFAOYSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.01
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline
CID 116736386
2-(2-bromophenoxy)-4-chloroaniline
CID 115469253
[2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol
CID 116736523
1-bromo-2-(2-bromophenoxy)benzene
CID 3465096
5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline
CID 66110372
5-bromo-2-(3-tert-butylphenoxy)-4-fluoroaniline
CID 66111747
2-(4-bromo-2-chloro-5-fluorophenoxy)-4-fluoroaniline
CID 114270895
2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline
CID 66100344
5-bromo-2-(2-tert-butyl-5-methylphenoxy)-4-fluoroaniline
CID 66111165
5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
CID 66111157
5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline
CID 81322372

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromophenoxy)-4-fluoroaniline?
The IUPAC name of 5-bromo-2-(2-bromophenoxy)-4-fluoroaniline (CID 66112531) is 5-bromo-2-(2-bromophenoxy)-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-(2-bromophenoxy)-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-(2-bromophenoxy)-4-fluoroaniline is Nc1cc(Br)c(F)cc1Oc1ccccc1Br.
What is the InChIKey of 5-bromo-2-(2-bromophenoxy)-4-fluoroaniline?
The InChIKey is OBLILUZDWHCKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2FNO/c13-7-3-1-2-4-11(7)17-12-6-9(15)8(14)5-10(12)16/h1-6H,16H2.
What are the key properties of 5-bromo-2-(2-bromophenoxy)-4-fluoroaniline?
5-bromo-2-(2-bromophenoxy)-4-fluoroaniline has a molecular weight of 361.01 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromophenoxy)-4-fluoroaniline is sourced from PubChem (CID 66112531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).