2-bromo-6-fluoro-N,N-dimethylaniline

C8H9BrFN — CID 99770093

IUPAC2-bromo-6-fluoro-N,N-dimethylaniline
SMILESCN(C)c1c(F)cccc1Br
InChIInChI=1S/C8H9BrFN/c1-11(2)8-6(9)4-3-5-7(8)10/h3-5H,1-2H3
InChIKeyWYOFZTRKLKREAG-UHFFFAOYSA-N
MW218.07 g/mol
LogP2.65
Rot. Bonds1

About 2-bromo-6-fluoro-N,N-dimethylaniline

2-bromo-6-fluoro-N,N-dimethylaniline (PubChem CID 99770093) has the molecular formula C8H9BrFN and a molecular weight of 218.07 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N,N-dimethylaniline
PubChem CID99770093
Molecular FormulaC8H9BrFN
Molecular Weight218.07 g/mol
Exact Mass216.99
IUPAC Name2-bromo-6-fluoro-N,N-dimethylaniline
SMILESCN(C)c1c(F)cccc1Br
InChIInChI=1S/C8H9BrFN/c1-11(2)8-6(9)4-3-5-7(8)10/h3-5H,1-2H3
InChIKeyWYOFZTRKLKREAG-UHFFFAOYSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N,N-dimethylaniline?
The IUPAC name of 2-bromo-6-fluoro-N,N-dimethylaniline (CID 99770093) is 2-bromo-6-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 2-bromo-6-fluoro-N,N-dimethylaniline?
The canonical SMILES for 2-bromo-6-fluoro-N,N-dimethylaniline is CN(C)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N,N-dimethylaniline?
The InChIKey is WYOFZTRKLKREAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN/c1-11(2)8-6(9)4-3-5-7(8)10/h3-5H,1-2H3.
What are the key properties of 2-bromo-6-fluoro-N,N-dimethylaniline?
2-bromo-6-fluoro-N,N-dimethylaniline has a molecular weight of 218.07 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 99770093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).