4-bromo-2-ethyl-5-fluoroaniline

C8H9BrFN — CID 90146797

IUPAC4-bromo-2-ethyl-5-fluoroaniline
SMILESCCc1cc(Br)c(F)cc1N
InChIInChI=1S/C8H9BrFN/c1-2-5-3-6(9)7(10)4-8(5)11/h3-4H,2,11H2,1H3
InChIKeyZRFFUBKDNWYDRN-UHFFFAOYSA-N
MW218.07 g/mol
LogP2.73
Rot. Bonds1

About 4-bromo-2-ethyl-5-fluoroaniline

4-bromo-2-ethyl-5-fluoroaniline (PubChem CID 90146797) has the molecular formula C8H9BrFN and a molecular weight of 218.07 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-fluoroaniline.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-fluoroaniline
PubChem CID90146797
Molecular FormulaC8H9BrFN
Molecular Weight218.07 g/mol
Exact Mass216.99
IUPAC Name4-bromo-2-ethyl-5-fluoroaniline
SMILESCCc1cc(Br)c(F)cc1N
InChIInChI=1S/C8H9BrFN/c1-2-5-3-6(9)7(10)4-8(5)11/h3-4H,2,11H2,1H3
InChIKeyZRFFUBKDNWYDRN-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 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 ≤ 52.73
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 4-bromo-2-ethyl-5-fluoroaniline?
The IUPAC name of 4-bromo-2-ethyl-5-fluoroaniline (CID 90146797) is 4-bromo-2-ethyl-5-fluoroaniline.
What is the SMILES notation for 4-bromo-2-ethyl-5-fluoroaniline?
The canonical SMILES for 4-bromo-2-ethyl-5-fluoroaniline is CCc1cc(Br)c(F)cc1N.
What is the InChIKey of 4-bromo-2-ethyl-5-fluoroaniline?
The InChIKey is ZRFFUBKDNWYDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN/c1-2-5-3-6(9)7(10)4-8(5)11/h3-4H,2,11H2,1H3.
What are the key properties of 4-bromo-2-ethyl-5-fluoroaniline?
4-bromo-2-ethyl-5-fluoroaniline has a molecular weight of 218.07 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-fluoroaniline is sourced from PubChem (CID 90146797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).