2-amino-1-(2-bromo-6-fluorophenyl)ethanone

C8H7BrFNO — CID 84695252

IUPAC2-amino-1-(2-bromo-6-fluorophenyl)ethanone
SMILESNCC(=O)c1c(F)cccc1Br
InChIInChI=1S/C8H7BrFNO/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3H,4,11H2
InChIKeyGSFMBYGTEBTKOH-UHFFFAOYSA-N
MW232.05 g/mol
LogP1.73
Rot. Bonds2

About 2-amino-1-(2-bromo-6-fluorophenyl)ethanone

2-amino-1-(2-bromo-6-fluorophenyl)ethanone (PubChem CID 84695252) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-bromo-6-fluorophenyl)ethanone
PubChem CID84695252
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC Name2-amino-1-(2-bromo-6-fluorophenyl)ethanone
SMILESNCC(=O)c1c(F)cccc1Br
InChIInChI=1S/C8H7BrFNO/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3H,4,11H2
InChIKeyGSFMBYGTEBTKOH-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2,6-difluorophenyl)ethanone;hydrochloride
CID 44717362
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390
2-amino-1-(2-bromo-6-chlorophenyl)ethanone
CID 84706659
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338
2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone
CID 117452873
2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride
CID 122361145
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanone
CID 114885507
1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone
CID 114559851
2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride
CID 122361063
1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 114559875
1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone
CID 114885274
1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one
CID 114885453

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-6-fluorophenyl)ethanone?
The IUPAC name of 2-amino-1-(2-bromo-6-fluorophenyl)ethanone (CID 84695252) is 2-amino-1-(2-bromo-6-fluorophenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-bromo-6-fluorophenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-bromo-6-fluorophenyl)ethanone is NCC(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-amino-1-(2-bromo-6-fluorophenyl)ethanone?
The InChIKey is GSFMBYGTEBTKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3H,4,11H2.
What are the key properties of 2-amino-1-(2-bromo-6-fluorophenyl)ethanone?
2-amino-1-(2-bromo-6-fluorophenyl)ethanone has a molecular weight of 232.05 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-6-fluorophenyl)ethanone is sourced from PubChem (CID 84695252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).