2-bromo-N-ethyl-4-fluoroaniline

C8H9BrFN — CID 28938858

IUPAC2-bromo-N-ethyl-4-fluoroaniline
SMILESCCNc1ccc(F)cc1Br
InChIInChI=1S/C8H9BrFN/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5,11H,2H2,1H3
InChIKeyCUMMJDUDPXKFKZ-UHFFFAOYSA-N
MW218.07 g/mol
LogP3.02
Rot. Bonds2

About 2-bromo-N-ethyl-4-fluoroaniline

2-bromo-N-ethyl-4-fluoroaniline (PubChem CID 28938858) has the molecular formula C8H9BrFN and a molecular weight of 218.07 g/mol. Its IUPAC name is 2-bromo-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-ethyl-4-fluoroaniline
PubChem CID28938858
Molecular FormulaC8H9BrFN
Molecular Weight218.07 g/mol
Exact Mass216.99
IUPAC Name2-bromo-N-ethyl-4-fluoroaniline
SMILESCCNc1ccc(F)cc1Br
InChIInChI=1S/C8H9BrFN/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5,11H,2H2,1H3
InChIKeyCUMMJDUDPXKFKZ-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-4-fluoroaniline?
The IUPAC name of 2-bromo-N-ethyl-4-fluoroaniline (CID 28938858) is 2-bromo-N-ethyl-4-fluoroaniline.
What is the SMILES notation for 2-bromo-N-ethyl-4-fluoroaniline?
The canonical SMILES for 2-bromo-N-ethyl-4-fluoroaniline is CCNc1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-ethyl-4-fluoroaniline?
The InChIKey is CUMMJDUDPXKFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5,11H,2H2,1H3.
What are the key properties of 2-bromo-N-ethyl-4-fluoroaniline?
2-bromo-N-ethyl-4-fluoroaniline has a molecular weight of 218.07 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-4-fluoroaniline is sourced from PubChem (CID 28938858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).