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

C8H9BrFN — CID 103238665

IUPAC5-bromo-4-fluoro-N,2-dimethylaniline
SMILESCNc1cc(Br)c(F)cc1C
InChIInChI=1S/C8H9BrFN/c1-5-3-7(10)6(9)4-8(5)11-2/h3-4,11H,1-2H3
InChIKeyPSIDVXDZVHATAX-UHFFFAOYSA-N
MW218.07 g/mol
LogP2.94
Rot. Bonds1

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

5-bromo-4-fluoro-N,2-dimethylaniline (PubChem CID 103238665) has the molecular formula C8H9BrFN and a molecular weight of 218.07 g/mol. Its IUPAC name is 5-bromo-4-fluoro-N,2-dimethylaniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-N,2-dimethylaniline
PubChem CID103238665
Molecular FormulaC8H9BrFN
Molecular Weight218.07 g/mol
Exact Mass216.99
IUPAC Name5-bromo-4-fluoro-N,2-dimethylaniline
SMILESCNc1cc(Br)c(F)cc1C
InChIInChI=1S/C8H9BrFN/c1-5-3-7(10)6(9)4-8(5)11-2/h3-4,11H,1-2H3
InChIKeyPSIDVXDZVHATAX-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-N,2-dimethylaniline?
The IUPAC name of 5-bromo-4-fluoro-N,2-dimethylaniline (CID 103238665) is 5-bromo-4-fluoro-N,2-dimethylaniline.
What is the SMILES notation for 5-bromo-4-fluoro-N,2-dimethylaniline?
The canonical SMILES for 5-bromo-4-fluoro-N,2-dimethylaniline is CNc1cc(Br)c(F)cc1C.
What is the InChIKey of 5-bromo-4-fluoro-N,2-dimethylaniline?
The InChIKey is PSIDVXDZVHATAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN/c1-5-3-7(10)6(9)4-8(5)11-2/h3-4,11H,1-2H3.
What are the key properties of 5-bromo-4-fluoro-N,2-dimethylaniline?
5-bromo-4-fluoro-N,2-dimethylaniline has a molecular weight of 218.07 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-N,2-dimethylaniline is sourced from PubChem (CID 103238665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).