3-bromo-4-chloro-5-fluoroaniline

C6H4BrClFN — CID 131585188

IUPAC3-bromo-4-chloro-5-fluoroaniline
SMILESNc1cc(F)c(Cl)c(Br)c1
InChIInChI=1S/C6H4BrClFN/c7-4-1-3(10)2-5(9)6(4)8/h1-2H,10H2
InChIKeyXPKPUVCHXFMSBC-UHFFFAOYSA-N
MW224.46 g/mol
LogP2.82
Rot. Bonds

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

3-bromo-4-chloro-5-fluoroaniline (PubChem CID 131585188) has the molecular formula C6H4BrClFN and a molecular weight of 224.46 g/mol. Its IUPAC name is 3-bromo-4-chloro-5-fluoroaniline.

Molecular Properties

Compound Name3-bromo-4-chloro-5-fluoroaniline
PubChem CID131585188
Molecular FormulaC6H4BrClFN
Molecular Weight224.46 g/mol
Exact Mass222.92
IUPAC Name3-bromo-4-chloro-5-fluoroaniline
SMILESNc1cc(F)c(Cl)c(Br)c1
InChIInChI=1S/C6H4BrClFN/c7-4-1-3(10)2-5(9)6(4)8/h1-2H,10H2
InChIKeyXPKPUVCHXFMSBC-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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Related Compounds

3-bromo-4,5-dichloroaniline
CID 91681180
2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine
CID 117420420
O-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 117389552
1-(3-bromo-4-chloro-5-fluorophenyl)ethanol
CID 117386869
3-bromo-2,6-dichloro-5-fluorobenzamide
CID 141400879
(5-amino-2-chloro-3-fluorophenyl) carbamate
CID 150779474
2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid
CID 83902718
ethyl 3-bromo-4-chloro-5-fluorobenzoate
CID 50997980
3-bromo-5-deuterio-4-fluoroaniline
CID 162451470
1-bromo-3-chloro-2,4,5-trifluorobenzene
CID 14978107
3-chloro-2,4,6-trifluoroaniline
CID 71758632
4-chloro-3-fluoroaniline
CID 2736511

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-5-fluoroaniline?
The IUPAC name of 3-bromo-4-chloro-5-fluoroaniline (CID 131585188) is 3-bromo-4-chloro-5-fluoroaniline.
What is the SMILES notation for 3-bromo-4-chloro-5-fluoroaniline?
The canonical SMILES for 3-bromo-4-chloro-5-fluoroaniline is Nc1cc(F)c(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-5-fluoroaniline?
The InChIKey is XPKPUVCHXFMSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClFN/c7-4-1-3(10)2-5(9)6(4)8/h1-2H,10H2.
What are the key properties of 3-bromo-4-chloro-5-fluoroaniline?
3-bromo-4-chloro-5-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 3-bromo-4-chloro-5-fluoroaniline is sourced from PubChem (CID 131585188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).