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

C8H9BrFN — CID 84785897

IUPAC5-bromo-3-fluoro-2,4-dimethylaniline
SMILESCc1c(N)cc(Br)c(C)c1F
InChIInChI=1S/C8H9BrFN/c1-4-6(9)3-7(11)5(2)8(4)10/h3H,11H2,1-2H3
InChIKeyABBGLNUNMZYCGA-UHFFFAOYSA-N
MW218.07 g/mol
LogP2.79
Rot. Bonds

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

5-bromo-3-fluoro-2,4-dimethylaniline (PubChem CID 84785897) has the molecular formula C8H9BrFN and a molecular weight of 218.07 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2,4-dimethylaniline.

Molecular Properties

Compound Name5-bromo-3-fluoro-2,4-dimethylaniline
PubChem CID84785897
Molecular FormulaC8H9BrFN
Molecular Weight218.07 g/mol
Exact Mass216.99
IUPAC Name5-bromo-3-fluoro-2,4-dimethylaniline
SMILESCc1c(N)cc(Br)c(C)c1F
InChIInChI=1S/C8H9BrFN/c1-4-6(9)3-7(11)5(2)8(4)10/h3H,11H2,1-2H3
InChIKeyABBGLNUNMZYCGA-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2,4-dimethylaniline?
The IUPAC name of 5-bromo-3-fluoro-2,4-dimethylaniline (CID 84785897) is 5-bromo-3-fluoro-2,4-dimethylaniline.
What is the SMILES notation for 5-bromo-3-fluoro-2,4-dimethylaniline?
The canonical SMILES for 5-bromo-3-fluoro-2,4-dimethylaniline is Cc1c(N)cc(Br)c(C)c1F.
What is the InChIKey of 5-bromo-3-fluoro-2,4-dimethylaniline?
The InChIKey is ABBGLNUNMZYCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN/c1-4-6(9)3-7(11)5(2)8(4)10/h3H,11H2,1-2H3.
What are the key properties of 5-bromo-3-fluoro-2,4-dimethylaniline?
5-bromo-3-fluoro-2,4-dimethylaniline has a molecular weight of 218.07 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2,4-dimethylaniline is sourced from PubChem (CID 84785897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).