6-bromo-3-chloro-2-fluoroaniline

C6H4BrClFN — CID 83409858

IUPAC6-bromo-3-chloro-2-fluoroaniline
SMILESNc1c(Br)ccc(Cl)c1F
InChIInChI=1S/C6H4BrClFN/c7-3-1-2-4(8)5(9)6(3)10/h1-2H,10H2
InChIKeyWXCVUVYFQQVECG-UHFFFAOYSA-N
MW224.46 g/mol
LogP2.82
Rot. Bonds

About 6-bromo-3-chloro-2-fluoroaniline

6-bromo-3-chloro-2-fluoroaniline (PubChem CID 83409858) has the molecular formula C6H4BrClFN and a molecular weight of 224.46 g/mol. Its IUPAC name is 6-bromo-3-chloro-2-fluoroaniline.

Molecular Properties

Compound Name6-bromo-3-chloro-2-fluoroaniline
PubChem CID83409858
Molecular FormulaC6H4BrClFN
Molecular Weight224.46 g/mol
Exact Mass222.92
IUPAC Name6-bromo-3-chloro-2-fluoroaniline
SMILESNc1c(Br)ccc(Cl)c1F
InChIInChI=1S/C6H4BrClFN/c7-3-1-2-4(8)5(9)6(3)10/h1-2H,10H2
InChIKeyWXCVUVYFQQVECG-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_1', 'substructure': 'N/A'}

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Related Compounds

2-Bromo-5-chloroaniline
CID 11310276
2-Bromo-3-chloroaniline
CID 11843442
2-Bromo-6-chlorobenzenamine
CID 12406853
2-Bromo-4-chloro-6-fluoroaniline
CID 2736222
3-Chloro-2,6-Dibromo-4-fluoroaniline
CID 2736480
4-Bromo-5-chloro-2-fluoroaniline
CID 14129196
3-Bromo-6-chloro-2-fluoroaniline
CID 66954501
2-Bromo-6-chloro-4-fluoroaniline
CID 614401
4-Bromo-3-chloro-2-fluoroaniline
CID 2782705
4-Bromo-2-chloro-6-fluoroaniline
CID 20434620
2-Bromo-4-chloro-5-fluoroaniline
CID 50998079
(2-Bromo-5-chlorophenyl)hydrazine
CID 58110901

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-2-fluoroaniline?
The IUPAC name of 6-bromo-3-chloro-2-fluoroaniline (CID 83409858) is 6-bromo-3-chloro-2-fluoroaniline.
What is the SMILES notation for 6-bromo-3-chloro-2-fluoroaniline?
The canonical SMILES for 6-bromo-3-chloro-2-fluoroaniline is Nc1c(Br)ccc(Cl)c1F.
What is the InChIKey of 6-bromo-3-chloro-2-fluoroaniline?
The InChIKey is WXCVUVYFQQVECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClFN/c7-3-1-2-4(8)5(9)6(3)10/h1-2H,10H2.
What are the key properties of 6-bromo-3-chloro-2-fluoroaniline?
6-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 6-bromo-3-chloro-2-fluoroaniline is sourced from PubChem (CID 83409858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).