2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone

C9H9BrFNO2 — CID 84806885

IUPAC2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1cc(Br)c(F)cc1C(=O)CN
InChIInChI=1S/C9H9BrFNO2/c1-14-9-3-6(10)7(11)2-5(9)8(13)4-12/h2-3H,4,12H2,1H3
InChIKeyHMPUXUWZKGMBIH-UHFFFAOYSA-N
MW262.08 g/mol
LogP1.74
Rot. Bonds3

About 2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone

2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 84806885) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
PubChem CID84806885
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1cc(Br)c(F)cc1C(=O)CN
InChIInChI=1S/C9H9BrFNO2/c1-14-9-3-6(10)7(11)2-5(9)8(13)4-12/h2-3H,4,12H2,1H3
InChIKeyHMPUXUWZKGMBIH-UHFFFAOYSA-N
XLogP1.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
CID 117326578
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one
CID 103394166
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone
CID 103394235
2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone
CID 84714845
2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
CID 84683219
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 103394230
2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
CID 86014406
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanone
CID 103394263
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117350605
3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one
CID 117303668

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone (CID 84806885) is 2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone is COc1cc(Br)c(F)cc1C(=O)CN.
What is the InChIKey of 2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is HMPUXUWZKGMBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-14-9-3-6(10)7(11)2-5(9)8(13)4-12/h2-3H,4,12H2,1H3.
What are the key properties of 2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone?
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 262.08 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 84806885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).