4-bromo-2-(bromomethyl)-6-fluoroaniline

C7H6Br2FN — CID 130119110

IUPAC4-bromo-2-(bromomethyl)-6-fluoroaniline
SMILESNc1c(F)cc(Br)cc1CBr
InChIInChI=1S/C7H6Br2FN/c8-3-4-1-5(9)2-6(10)7(4)11/h1-2H,3,11H2
InChIKeyPYPJXZAPVJTXEA-UHFFFAOYSA-N
MW282.94 g/mol
LogP3.07
Rot. Bonds1

About 4-bromo-2-(bromomethyl)-6-fluoroaniline

4-bromo-2-(bromomethyl)-6-fluoroaniline (PubChem CID 130119110) has the molecular formula C7H6Br2FN and a molecular weight of 282.94 g/mol. Its IUPAC name is 4-bromo-2-(bromomethyl)-6-fluoroaniline.

Molecular Properties

Compound Name4-bromo-2-(bromomethyl)-6-fluoroaniline
PubChem CID130119110
Molecular FormulaC7H6Br2FN
Molecular Weight282.94 g/mol
Exact Mass280.89
IUPAC Name4-bromo-2-(bromomethyl)-6-fluoroaniline
SMILESNc1c(F)cc(Br)cc1CBr
InChIInChI=1S/C7H6Br2FN/c8-3-4-1-5(9)2-6(10)7(4)11/h1-2H,3,11H2
InChIKeyPYPJXZAPVJTXEA-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.94
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(bromomethyl)-6-methylaniline
CID 154137696
5-bromo-1-(bromomethyl)-3-fluoro-2-nitrobenzene
CID 130850398
(4-amino-3-bromo-5-fluorophenyl)methanol
CID 71721412
2,3,4-tribromo-6-(bromomethyl)aniline
CID 175165901
1-(4-bromo-2,6-difluorophenyl)ethanamine
CID 67403497
5-bromo-1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 131533788
[3-(aminomethyl)-5-bromo-2-fluorophenyl]methanamine
CID 53474963
5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine
CID 146219796
methyl (3R)-3-(2-amino-5-bromo-3-fluoroanilino)butanoate
CID 150106289
(4-bromo-2,6-difluorophenyl)methanamine;hydrochloride
CID 73012230
5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron
CID 174779627
2-(3-aminopropyl)-4-bromo-6-fluorophenol
CID 83900251

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(bromomethyl)-6-fluoroaniline?
The IUPAC name of 4-bromo-2-(bromomethyl)-6-fluoroaniline (CID 130119110) is 4-bromo-2-(bromomethyl)-6-fluoroaniline.
What is the SMILES notation for 4-bromo-2-(bromomethyl)-6-fluoroaniline?
The canonical SMILES for 4-bromo-2-(bromomethyl)-6-fluoroaniline is Nc1c(F)cc(Br)cc1CBr.
What is the InChIKey of 4-bromo-2-(bromomethyl)-6-fluoroaniline?
The InChIKey is PYPJXZAPVJTXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2FN/c8-3-4-1-5(9)2-6(10)7(4)11/h1-2H,3,11H2.
What are the key properties of 4-bromo-2-(bromomethyl)-6-fluoroaniline?
4-bromo-2-(bromomethyl)-6-fluoroaniline has a molecular weight of 282.94 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(bromomethyl)-6-fluoroaniline is sourced from PubChem (CID 130119110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).