4-bromo-3-chloro-2-fluoroaniline

C6H4BrClFN — CID 2782705

IUPAC4-bromo-3-chloro-2-fluoroaniline
SMILESNc1ccc(Br)c(Cl)c1F
InChIInChI=1S/C6H4BrClFN/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2
InChIKeyWYXZIQDHENNEPU-UHFFFAOYSA-N
MW224.46 g/mol
LogP2.82
Rot. Bonds

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

4-bromo-3-chloro-2-fluoroaniline (PubChem CID 2782705) has the molecular formula C6H4BrClFN and a molecular weight of 224.46 g/mol. Its IUPAC name is 4-bromo-3-chloro-2-fluoroaniline.

Molecular Properties

Compound Name4-bromo-3-chloro-2-fluoroaniline
PubChem CID2782705
Molecular FormulaC6H4BrClFN
Molecular Weight224.46 g/mol
Exact Mass222.92
IUPAC Name4-bromo-3-chloro-2-fluoroaniline
SMILESNc1ccc(Br)c(Cl)c1F
InChIInChI=1S/C6H4BrClFN/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2
InChIKeyWYXZIQDHENNEPU-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-2-fluoroaniline?
The IUPAC name of 4-bromo-3-chloro-2-fluoroaniline (CID 2782705) is 4-bromo-3-chloro-2-fluoroaniline.
What is the SMILES notation for 4-bromo-3-chloro-2-fluoroaniline?
The canonical SMILES for 4-bromo-3-chloro-2-fluoroaniline is Nc1ccc(Br)c(Cl)c1F.
What is the InChIKey of 4-bromo-3-chloro-2-fluoroaniline?
The InChIKey is WYXZIQDHENNEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClFN/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2.
What are the key properties of 4-bromo-3-chloro-2-fluoroaniline?
4-bromo-3-chloro-2-fluoroaniline has a molecular weight of 224.46 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-2-fluoroaniline is sourced from PubChem (CID 2782705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).