2-bromo-4-fluoro-6-methylaniline

C7H7BrFN — CID 2773378

IUPAC2-bromo-4-fluoro-6-methylaniline
SMILESCc1cc(F)cc(Br)c1N
InChIInChI=1S/C7H7BrFN/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,10H2,1H3
InChIKeyVTWSBILIFIFEFG-UHFFFAOYSA-N
MW204.04 g/mol
LogP2.48
Rot. Bonds

About 2-bromo-4-fluoro-6-methylaniline

2-bromo-4-fluoro-6-methylaniline (PubChem CID 2773378) has the molecular formula C7H7BrFN and a molecular weight of 204.04 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-methylaniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-6-methylaniline
PubChem CID2773378
Molecular FormulaC7H7BrFN
Molecular Weight204.04 g/mol
Exact Mass202.97
IUPAC Name2-bromo-4-fluoro-6-methylaniline
SMILESCc1cc(F)cc(Br)c1N
InChIInChI=1S/C7H7BrFN/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,10H2,1H3
InChIKeyVTWSBILIFIFEFG-UHFFFAOYSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.04
LogP ≤ 52.48
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 2-bromo-4-fluoro-6-methylaniline?
The IUPAC name of 2-bromo-4-fluoro-6-methylaniline (CID 2773378) is 2-bromo-4-fluoro-6-methylaniline.
What is the SMILES notation for 2-bromo-4-fluoro-6-methylaniline?
The canonical SMILES for 2-bromo-4-fluoro-6-methylaniline is Cc1cc(F)cc(Br)c1N.
What is the InChIKey of 2-bromo-4-fluoro-6-methylaniline?
The InChIKey is VTWSBILIFIFEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFN/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,10H2,1H3.
What are the key properties of 2-bromo-4-fluoro-6-methylaniline?
2-bromo-4-fluoro-6-methylaniline has a molecular weight of 204.04 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6-methylaniline is sourced from PubChem (CID 2773378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).