5-bromo-2-ethyl-3-fluoroaniline

C8H9BrFN — CID 89288548

IUPAC5-bromo-2-ethyl-3-fluoroaniline
SMILESCCc1c(N)cc(Br)cc1F
InChIInChI=1S/C8H9BrFN/c1-2-6-7(10)3-5(9)4-8(6)11/h3-4H,2,11H2,1H3
InChIKeyGMOUTSIJXLJTGP-UHFFFAOYSA-N
MW218.07 g/mol
LogP2.73
Rot. Bonds1

About 5-bromo-2-ethyl-3-fluoroaniline

5-bromo-2-ethyl-3-fluoroaniline (PubChem CID 89288548) has the molecular formula C8H9BrFN and a molecular weight of 218.07 g/mol. Its IUPAC name is 5-bromo-2-ethyl-3-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-ethyl-3-fluoroaniline
PubChem CID89288548
Molecular FormulaC8H9BrFN
Molecular Weight218.07 g/mol
Exact Mass216.99
IUPAC Name5-bromo-2-ethyl-3-fluoroaniline
SMILESCCc1c(N)cc(Br)cc1F
InChIInChI=1S/C8H9BrFN/c1-2-6-7(10)3-5(9)4-8(6)11/h3-4H,2,11H2,1H3
InChIKeyGMOUTSIJXLJTGP-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 5-bromo-2-ethyl-3-fluoroaniline?
The IUPAC name of 5-bromo-2-ethyl-3-fluoroaniline (CID 89288548) is 5-bromo-2-ethyl-3-fluoroaniline.
What is the SMILES notation for 5-bromo-2-ethyl-3-fluoroaniline?
The canonical SMILES for 5-bromo-2-ethyl-3-fluoroaniline is CCc1c(N)cc(Br)cc1F.
What is the InChIKey of 5-bromo-2-ethyl-3-fluoroaniline?
The InChIKey is GMOUTSIJXLJTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN/c1-2-6-7(10)3-5(9)4-8(6)11/h3-4H,2,11H2,1H3.
What are the key properties of 5-bromo-2-ethyl-3-fluoroaniline?
5-bromo-2-ethyl-3-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 5-bromo-2-ethyl-3-fluoroaniline is sourced from PubChem (CID 89288548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).