3-bromo-5-fluoro-2,4-dimethoxyaniline

C8H9BrFNO2 — CID 84803833

IUPAC3-bromo-5-fluoro-2,4-dimethoxyaniline
SMILESCOc1c(N)cc(F)c(OC)c1Br
InChIInChI=1S/C8H9BrFNO2/c1-12-7-4(10)3-5(11)8(13-2)6(7)9/h3H,11H2,1-2H3
InChIKeyGUBJOSLSZJPCLA-UHFFFAOYSA-N
MW250.07 g/mol
LogP2.19
Rot. Bonds2

About 3-bromo-5-fluoro-2,4-dimethoxyaniline

3-bromo-5-fluoro-2,4-dimethoxyaniline (PubChem CID 84803833) has the molecular formula C8H9BrFNO2 and a molecular weight of 250.07 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2,4-dimethoxyaniline.

Molecular Properties

Compound Name3-bromo-5-fluoro-2,4-dimethoxyaniline
PubChem CID84803833
Molecular FormulaC8H9BrFNO2
Molecular Weight250.07 g/mol
Exact Mass248.98
IUPAC Name3-bromo-5-fluoro-2,4-dimethoxyaniline
SMILESCOc1c(N)cc(F)c(OC)c1Br
InChIInChI=1S/C8H9BrFNO2/c1-12-7-4(10)3-5(11)8(13-2)6(7)9/h3H,11H2,1-2H3
InChIKeyGUBJOSLSZJPCLA-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.07
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-fluoro-2-methoxy-4-(trifluoromethoxy)aniline
CID 98041889
2-bromo-3,5-difluoro-4-methoxyaniline
CID 141136680
1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117474393
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
4-amino-2,6-difluoro-3-methoxyphenol
CID 84766766
5-bromo-1,3-difluoro-2-methoxybenzene;ethane
CID 144516394
1-[(3-bromo-5-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117490447
6-amino-4-fluoro-2,3-dimethoxybenzoic acid
CID 84783720
3,5-difluoro-4-methoxybenzenethiol
CID 50998081
sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride
CID 175500910
3-bromo-2-methoxy-4-methylaniline
CID 82613869
3,5-difluoro-2-methoxy-4-nitroaniline
CID 138109611

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2,4-dimethoxyaniline?
The IUPAC name of 3-bromo-5-fluoro-2,4-dimethoxyaniline (CID 84803833) is 3-bromo-5-fluoro-2,4-dimethoxyaniline.
What is the SMILES notation for 3-bromo-5-fluoro-2,4-dimethoxyaniline?
The canonical SMILES for 3-bromo-5-fluoro-2,4-dimethoxyaniline is COc1c(N)cc(F)c(OC)c1Br.
What is the InChIKey of 3-bromo-5-fluoro-2,4-dimethoxyaniline?
The InChIKey is GUBJOSLSZJPCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO2/c1-12-7-4(10)3-5(11)8(13-2)6(7)9/h3H,11H2,1-2H3.
What are the key properties of 3-bromo-5-fluoro-2,4-dimethoxyaniline?
3-bromo-5-fluoro-2,4-dimethoxyaniline has a molecular weight of 250.07 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-2,4-dimethoxyaniline is sourced from PubChem (CID 84803833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).