2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline

C13H9BrF3NO2 — CID 107097473

IUPAC2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(Oc2cc(Br)cc(F)c2F)c(N)cc1F
InChIInChI=1S/C13H9BrF3NO2/c1-19-10-5-11(9(18)4-7(10)15)20-12-3-6(14)2-8(16)13(12)17/h2-5H,18H2,1H3
InChIKeyGLOIQZLENGZGGL-UHFFFAOYSA-N
MW348.12 g/mol
LogP4.25
Rot. Bonds3

About 2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline

2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline (PubChem CID 107097473) has the molecular formula C13H9BrF3NO2 and a molecular weight of 348.12 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline
PubChem CID107097473
Molecular FormulaC13H9BrF3NO2
Molecular Weight348.12 g/mol
Exact Mass346.98
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(Oc2cc(Br)cc(F)c2F)c(N)cc1F
InChIInChI=1S/C13H9BrF3NO2/c1-19-10-5-11(9(18)4-7(10)15)20-12-3-6(14)2-8(16)13(12)17/h2-5H,18H2,1H3
InChIKeyGLOIQZLENGZGGL-UHFFFAOYSA-N
XLogP4.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.12
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
CID 63599508
2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 107099157
2-(3,5-dichlorophenoxy)-5-fluoro-4-methoxyaniline
CID 63598612
5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
CID 55215693
6-(5-bromo-2,3-difluorophenoxy)-5-methoxypyrimidin-4-amine
CID 107102826
2,5-difluoro-4-methoxyaniline
CID 45090681
4-(5-bromo-2,3-difluorophenoxy)aniline
CID 107097389
2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline
CID 63599666
5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline
CID 63598441
5-fluoro-4-methoxy-2-[2-(trifluoromethyl)phenoxy]aniline
CID 63599659
2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline
CID 63598602
2-[4-(5-bromo-2,3-difluorophenoxy)-3-fluorophenyl]ethanamine
CID 107102021

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline (CID 107097473) is 2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline is COc1cc(Oc2cc(Br)cc(F)c2F)c(N)cc1F.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline?
The InChIKey is GLOIQZLENGZGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO2/c1-19-10-5-11(9(18)4-7(10)15)20-12-3-6(14)2-8(16)13(12)17/h2-5H,18H2,1H3.
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline?
2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline has a molecular weight of 348.12 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline is sourced from PubChem (CID 107097473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).