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

C12H8BrF2NO — CID 26190500

IUPAC5-bromo-2-(2,4-difluorophenoxy)aniline
SMILESNc1cc(Br)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C12H8BrF2NO/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(14)6-9(11)15/h1-6H,16H2
InChIKeyPVVVFOBRPYJBNM-UHFFFAOYSA-N
MW300.10 g/mol
LogP4.10
Rot. Bonds2

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

5-bromo-2-(2,4-difluorophenoxy)aniline (PubChem CID 26190500) has the molecular formula C12H8BrF2NO and a molecular weight of 300.10 g/mol. Its IUPAC name is 5-bromo-2-(2,4-difluorophenoxy)aniline.

Molecular Properties

Compound Name5-bromo-2-(2,4-difluorophenoxy)aniline
PubChem CID26190500
Molecular FormulaC12H8BrF2NO
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name5-bromo-2-(2,4-difluorophenoxy)aniline
SMILESNc1cc(Br)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C12H8BrF2NO/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(14)6-9(11)15/h1-6H,16H2
InChIKeyPVVVFOBRPYJBNM-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,4-difluorophenoxy)aniline?
The IUPAC name of 5-bromo-2-(2,4-difluorophenoxy)aniline (CID 26190500) is 5-bromo-2-(2,4-difluorophenoxy)aniline.
What is the SMILES notation for 5-bromo-2-(2,4-difluorophenoxy)aniline?
The canonical SMILES for 5-bromo-2-(2,4-difluorophenoxy)aniline is Nc1cc(Br)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of 5-bromo-2-(2,4-difluorophenoxy)aniline?
The InChIKey is PVVVFOBRPYJBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(14)6-9(11)15/h1-6H,16H2.
What are the key properties of 5-bromo-2-(2,4-difluorophenoxy)aniline?
5-bromo-2-(2,4-difluorophenoxy)aniline 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 5-bromo-2-(2,4-difluorophenoxy)aniline is sourced from PubChem (CID 26190500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).