3-bromo-2-chloro-4-ethyl-5-fluoroaniline

C8H8BrClFN — CID 143843135

IUPAC3-bromo-2-chloro-4-ethyl-5-fluoroaniline
SMILESCCc1c(F)cc(N)c(Cl)c1Br
InChIInChI=1S/C8H8BrClFN/c1-2-4-5(11)3-6(12)8(10)7(4)9/h3H,2,12H2,1H3
InChIKeyYFTZDOVBDOZVSF-UHFFFAOYSA-N
MW252.51 g/mol
LogP3.39
Rot. Bonds1

About 3-bromo-2-chloro-4-ethyl-5-fluoroaniline

3-bromo-2-chloro-4-ethyl-5-fluoroaniline (PubChem CID 143843135) has the molecular formula C8H8BrClFN and a molecular weight of 252.51 g/mol. Its IUPAC name is 3-bromo-2-chloro-4-ethyl-5-fluoroaniline.

Molecular Properties

Compound Name3-bromo-2-chloro-4-ethyl-5-fluoroaniline
PubChem CID143843135
Molecular FormulaC8H8BrClFN
Molecular Weight252.51 g/mol
Exact Mass250.95
IUPAC Name3-bromo-2-chloro-4-ethyl-5-fluoroaniline
SMILESCCc1c(F)cc(N)c(Cl)c1Br
InChIInChI=1S/C8H8BrClFN/c1-2-4-5(11)3-6(12)8(10)7(4)9/h3H,2,12H2,1H3
InChIKeyYFTZDOVBDOZVSF-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-bromo-2-chloro-4-ethyl-5-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-4-ethyl-5-fluoroaniline?
The IUPAC name of 3-bromo-2-chloro-4-ethyl-5-fluoroaniline (CID 143843135) is 3-bromo-2-chloro-4-ethyl-5-fluoroaniline.
What is the SMILES notation for 3-bromo-2-chloro-4-ethyl-5-fluoroaniline?
The canonical SMILES for 3-bromo-2-chloro-4-ethyl-5-fluoroaniline is CCc1c(F)cc(N)c(Cl)c1Br.
What is the InChIKey of 3-bromo-2-chloro-4-ethyl-5-fluoroaniline?
The InChIKey is YFTZDOVBDOZVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFN/c1-2-4-5(11)3-6(12)8(10)7(4)9/h3H,2,12H2,1H3.
What are the key properties of 3-bromo-2-chloro-4-ethyl-5-fluoroaniline?
3-bromo-2-chloro-4-ethyl-5-fluoroaniline has a molecular weight of 252.51 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-4-ethyl-5-fluoroaniline is sourced from PubChem (CID 143843135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).