2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline

C12H7BrClF2NO — CID 114089163

IUPAC2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline
SMILESNc1cc(F)c(Cl)cc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C12H7BrClF2NO/c13-7-2-1-6(3-9(7)15)18-12-4-8(14)10(16)5-11(12)17/h1-5H,17H2
InChIKeyQZSHDLMTLMWOFL-UHFFFAOYSA-N
MW334.55 g/mol
LogP4.76
Rot. Bonds2

About 2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline

2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline (PubChem CID 114089163) has the molecular formula C12H7BrClF2NO and a molecular weight of 334.55 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline
PubChem CID114089163
Molecular FormulaC12H7BrClF2NO
Molecular Weight334.55 g/mol
Exact Mass332.94
IUPAC Name2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline
SMILESNc1cc(F)c(Cl)cc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C12H7BrClF2NO/c13-7-2-1-6(3-9(7)15)18-12-4-8(14)10(16)5-11(12)17/h1-5H,17H2
InChIKeyQZSHDLMTLMWOFL-UHFFFAOYSA-N
XLogP4.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 116736446
2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline
CID 65203479
4-chloro-5-fluoro-2-(3-fluorophenoxy)aniline
CID 114089137
4-bromo-2-(4-chloro-3-ethylphenoxy)-5-fluoroaniline
CID 116736483
4-(4-bromo-3-fluorophenoxy)benzene-1,2-diamine
CID 106748501
2-[(5-bromo-3-pyridinyl)oxy]-4-chloro-5-fluoroaniline
CID 114089160
4-amino-3-(4-bromo-3-fluorophenoxy)benzonitrile
CID 113444333
4-amino-3-(4-bromo-3-fluorophenoxy)benzenesulfonamide
CID 82898332
5-chloro-4-fluoro-2-phenoxyaniline
CID 66078478
1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene
CID 107088717
1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 65200927
(1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 79004867

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline (CID 114089163) is 2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline is Nc1cc(F)c(Cl)cc1Oc1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline?
The InChIKey is QZSHDLMTLMWOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF2NO/c13-7-2-1-6(3-9(7)15)18-12-4-8(14)10(16)5-11(12)17/h1-5H,17H2.
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline?
2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline has a molecular weight of 334.55 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline is sourced from PubChem (CID 114089163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).