5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline

C13H9BrF3NO — CID 103482967

IUPAC5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1OCc1c(F)cccc1F
InChIInChI=1S/C13H9BrF3NO/c14-8-4-12(18)13(5-11(8)17)19-6-7-9(15)2-1-3-10(7)16/h1-5H,6,18H2
InChIKeyVCPKYMYQMYZONX-UHFFFAOYSA-N
MW332.12 g/mol
LogP4.03
Rot. Bonds3

About 5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline

5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline (PubChem CID 103482967) has the molecular formula C13H9BrF3NO and a molecular weight of 332.12 g/mol. Its IUPAC name is 5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline
PubChem CID103482967
Molecular FormulaC13H9BrF3NO
Molecular Weight332.12 g/mol
Exact Mass330.98
IUPAC Name5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1OCc1c(F)cccc1F
InChIInChI=1S/C13H9BrF3NO/c14-8-4-12(18)13(5-11(8)17)19-6-7-9(15)2-1-3-10(7)16/h1-5H,6,18H2
InChIKeyVCPKYMYQMYZONX-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 54.03
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-4-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 66110973
5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline
CID 58022350
4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline
CID 114929926
3-[(2-amino-4-bromo-5-fluorophenoxy)methyl]-2-fluorobenzonitrile
CID 107113784
5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline
CID 103483032
5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluoroaniline
CID 103482999
5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline
CID 103483039
5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline
CID 82004312
2-[(3-bromo-2,6-difluorophenyl)methoxy]-4,5-dichloroaniline
CID 106262854
2-(1,3-benzodioxol-5-ylmethoxy)-5-bromo-4-fluoroaniline
CID 66111745
3-bromo-2-[(4-bromo-2-fluorophenoxy)methyl]aniline
CID 43349804
5-bromo-2-(2-bromophenoxy)-4-fluoroaniline
CID 66112531

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline?
The IUPAC name of 5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline (CID 103482967) is 5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline is Nc1cc(Br)c(F)cc1OCc1c(F)cccc1F.
What is the InChIKey of 5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline?
The InChIKey is VCPKYMYQMYZONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO/c14-8-4-12(18)13(5-11(8)17)19-6-7-9(15)2-1-3-10(7)16/h1-5H,6,18H2.
What are the key properties of 5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline?
5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline has a molecular weight of 332.12 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline is sourced from PubChem (CID 103482967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).