4-(4-bromo-2,6-difluorophenyl)aniline

C12H8BrF2N — CID 178054531

IUPAC4-(4-bromo-2,6-difluorophenyl)aniline
SMILESNc1ccc(-c2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C12H8BrF2N/c13-8-5-10(14)12(11(15)6-8)7-1-3-9(16)4-2-7/h1-6H,16H2
InChIKeyHIJMURPRQWRSLY-UHFFFAOYSA-N
MW284.10 g/mol
LogP3.98
Rot. Bonds1

About 4-(4-bromo-2,6-difluorophenyl)aniline

4-(4-bromo-2,6-difluorophenyl)aniline (PubChem CID 178054531) has the molecular formula C12H8BrF2N and a molecular weight of 284.10 g/mol. Its IUPAC name is 4-(4-bromo-2,6-difluorophenyl)aniline.

Molecular Properties

Compound Name4-(4-bromo-2,6-difluorophenyl)aniline
PubChem CID178054531
Molecular FormulaC12H8BrF2N
Molecular Weight284.10 g/mol
Exact Mass282.98
IUPAC Name4-(4-bromo-2,6-difluorophenyl)aniline
SMILESNc1ccc(-c2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C12H8BrF2N/c13-8-5-10(14)12(11(15)6-8)7-1-3-9(16)4-2-7/h1-6H,16H2
InChIKeyHIJMURPRQWRSLY-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,6-difluorophenyl)aniline?
The IUPAC name of 4-(4-bromo-2,6-difluorophenyl)aniline (CID 178054531) is 4-(4-bromo-2,6-difluorophenyl)aniline.
What is the SMILES notation for 4-(4-bromo-2,6-difluorophenyl)aniline?
The canonical SMILES for 4-(4-bromo-2,6-difluorophenyl)aniline is Nc1ccc(-c2c(F)cc(Br)cc2F)cc1.
What is the InChIKey of 4-(4-bromo-2,6-difluorophenyl)aniline?
The InChIKey is HIJMURPRQWRSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2N/c13-8-5-10(14)12(11(15)6-8)7-1-3-9(16)4-2-7/h1-6H,16H2.
What are the key properties of 4-(4-bromo-2,6-difluorophenyl)aniline?
4-(4-bromo-2,6-difluorophenyl)aniline has a molecular weight of 284.10 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,6-difluorophenyl)aniline is sourced from PubChem (CID 178054531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).