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

C12H8BrF2NO — CID 65203479

IUPAC2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline
SMILESNc1ccc(F)cc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C12H8BrF2NO/c13-9-3-2-8(6-10(9)15)17-12-5-7(14)1-4-11(12)16/h1-6H,16H2
InChIKeyNYTOHDXAPIHYEZ-UHFFFAOYSA-N
MW300.10 g/mol
LogP4.10
Rot. Bonds2

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

2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline (PubChem CID 65203479) has the molecular formula C12H8BrF2NO and a molecular weight of 300.10 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline
PubChem CID65203479
Molecular FormulaC12H8BrF2NO
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline
SMILESNc1ccc(F)cc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C12H8BrF2NO/c13-9-3-2-8(6-10(9)15)17-12-5-7(14)1-4-11(12)16/h1-6H,16H2
InChIKeyNYTOHDXAPIHYEZ-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 54.10
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-amino-3-(4-bromo-3-fluorophenoxy)benzonitrile
CID 113444333
4-amino-3-(4-bromo-3-fluorophenoxy)benzenesulfonamide
CID 82898332
4-(4-bromo-3-fluorophenoxy)benzene-1,2-diamine
CID 106748501
2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline
CID 63456931
2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline
CID 114089163
2-(4-bromo-2-chloro-5-fluorophenoxy)-4-fluoroaniline
CID 114270895
2-(4-bromo-3,5-dimethylphenoxy)-4-fluoroaniline
CID 107722631
4-(2,5-difluorophenoxy)-2-methylaniline
CID 63268652
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine
CID 65202987
2-bromo-4-(2-fluorophenoxy)aniline
CID 138707019
2-(3,5-dimethylphenoxy)-4-fluoroaniline
CID 62377840
2-(3-chlorophenoxy)-4-fluoroaniline
CID 62378026

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline (CID 65203479) is 2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline is Nc1ccc(F)cc1Oc1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline?
The InChIKey is NYTOHDXAPIHYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO/c13-9-3-2-8(6-10(9)15)17-12-5-7(14)1-4-11(12)16/h1-6H,16H2.
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline?
2-(4-bromo-3-fluorophenoxy)-4-fluoroaniline has a molecular weight of 300.10 g/mol, XLogP of 4.10, 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-fluoroaniline is sourced from PubChem (CID 65203479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).