5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline

C12H7BrF3NO — CID 66110764

IUPAC5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1Oc1ccc(F)cc1F
InChIInChI=1S/C12H7BrF3NO/c13-7-4-10(17)12(5-8(7)15)18-11-2-1-6(14)3-9(11)16/h1-5H,17H2
InChIKeyIKCUGSSYQDROFP-UHFFFAOYSA-N
MW318.09 g/mol
LogP4.24
Rot. Bonds2

About 5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline

5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline (PubChem CID 66110764) has the molecular formula C12H7BrF3NO and a molecular weight of 318.09 g/mol. Its IUPAC name is 5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
PubChem CID66110764
Molecular FormulaC12H7BrF3NO
Molecular Weight318.09 g/mol
Exact Mass316.97
IUPAC Name5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1Oc1ccc(F)cc1F
InChIInChI=1S/C12H7BrF3NO/c13-7-4-10(17)12(5-8(7)15)18-11-2-1-6(14)3-9(11)16/h1-5H,17H2
InChIKeyIKCUGSSYQDROFP-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.09
LogP ≤ 54.24
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-(2-bromo-4-fluorophenoxy)-5-fluoroaniline
CID 116736386
5-bromo-2-(2-bromophenoxy)-4-fluoroaniline
CID 66112531
2-(4-bromo-2-chloro-5-fluorophenoxy)-4-fluoroaniline
CID 114270895
2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline
CID 66100344
5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline
CID 66110372
4-(2-amino-5-bromo-4-fluorophenoxy)-3-fluorobenzonitrile
CID 107670129
2-(2,4-difluorophenoxy)-4-methylaniline
CID 10105468
2-(2,4-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593349
5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline
CID 81322372
2-(5-bromo-2-fluorophenoxy)-5-fluoroaniline
CID 114671678
4-bromo-2-(2-bromo-4-fluorophenoxy)aniline
CID 65342586
5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
CID 66077320

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline?
The IUPAC name of 5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline (CID 66110764) is 5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline is Nc1cc(Br)c(F)cc1Oc1ccc(F)cc1F.
What is the InChIKey of 5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline?
The InChIKey is IKCUGSSYQDROFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3NO/c13-7-4-10(17)12(5-8(7)15)18-11-2-1-6(14)3-9(11)16/h1-5H,17H2.
What are the key properties of 5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline?
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline has a molecular weight of 318.09 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline is sourced from PubChem (CID 66110764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).