4-bromo-2,5-difluoroaniline

C6H4BrF2N — CID 2773285

IUPAC4-bromo-2,5-difluoroaniline
SMILESNc1cc(F)c(Br)cc1F
InChIInChI=1S/C6H4BrF2N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
InChIKeyXOYHFIQPPOJMFK-UHFFFAOYSA-N
MW208.00 g/mol
LogP2.31
Rot. Bonds

About 4-bromo-2,5-difluoroaniline

4-bromo-2,5-difluoroaniline (PubChem CID 2773285) has the molecular formula C6H4BrF2N and a molecular weight of 208.00 g/mol. Its IUPAC name is 4-bromo-2,5-difluoroaniline.

Molecular Properties

Compound Name4-bromo-2,5-difluoroaniline
PubChem CID2773285
Molecular FormulaC6H4BrF2N
Molecular Weight208.00 g/mol
Exact Mass206.95
IUPAC Name4-bromo-2,5-difluoroaniline
SMILESNc1cc(F)c(Br)cc1F
InChIInChI=1S/C6H4BrF2N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
InChIKeyXOYHFIQPPOJMFK-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.00
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-difluoroaniline?
The IUPAC name of 4-bromo-2,5-difluoroaniline (CID 2773285) is 4-bromo-2,5-difluoroaniline.
What is the SMILES notation for 4-bromo-2,5-difluoroaniline?
The canonical SMILES for 4-bromo-2,5-difluoroaniline is Nc1cc(F)c(Br)cc1F.
What is the InChIKey of 4-bromo-2,5-difluoroaniline?
The InChIKey is XOYHFIQPPOJMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2.
What are the key properties of 4-bromo-2,5-difluoroaniline?
4-bromo-2,5-difluoroaniline has a molecular weight of 208.00 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-difluoroaniline is sourced from PubChem (CID 2773285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).