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

C12H7Br2F2NO — CID 81322372

IUPAC5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C12H7Br2F2NO/c13-6-1-7(15)3-8(2-6)18-12-5-10(16)9(14)4-11(12)17/h1-5H,17H2
InChIKeyZKXUJTHDNONEAK-UHFFFAOYSA-N
MW379.00 g/mol
LogP4.86
Rot. Bonds2

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

5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline (PubChem CID 81322372) has the molecular formula C12H7Br2F2NO and a molecular weight of 379.00 g/mol. Its IUPAC name is 5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline
PubChem CID81322372
Molecular FormulaC12H7Br2F2NO
Molecular Weight379.00 g/mol
Exact Mass376.89
IUPAC Name5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C12H7Br2F2NO/c13-6-1-7(15)3-8(2-6)18-12-5-10(16)9(14)4-11(12)17/h1-5H,17H2
InChIKeyZKXUJTHDNONEAK-UHFFFAOYSA-N
XLogP4.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.00
LogP ≤ 54.86
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-(3-bromo-5-fluorophenoxy)-3-fluoroaniline
CID 81321851
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
CID 66111157
5-bromo-2-(2-bromophenoxy)-4-fluoroaniline
CID 66112531
5-bromo-2-(3-tert-butylphenoxy)-4-fluoroaniline
CID 66111747
6-(3-bromo-5-fluorophenoxy)quinolin-5-amine
CID 81322745
4-(3-bromo-5-fluorophenoxy)-2,1,3-benzoxadiazol-7-amine
CID 81321925
2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81326172
2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
CID 81325869
8-(3-bromo-5-fluorophenoxy)isoquinolin-5-amine
CID 103140084
5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800312
4-bromo-2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 116736446

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline?
The IUPAC name of 5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline (CID 81322372) is 5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline is Nc1cc(Br)c(F)cc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline?
The InChIKey is ZKXUJTHDNONEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2F2NO/c13-6-1-7(15)3-8(2-6)18-12-5-10(16)9(14)4-11(12)17/h1-5H,17H2.
What are the key properties of 5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline?
5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline has a molecular weight of 379.00 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline is sourced from PubChem (CID 81322372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).