1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone

C9H8BrF2NO — CID 117414294

IUPAC1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(F)c(F)cc1Br
InChIInChI=1S/C9H8BrF2NO/c1-13-4-9(14)5-2-7(11)8(12)3-6(5)10/h2-3,13H,4H2,1H3
InChIKeyOEZOTQNWASJFJH-UHFFFAOYSA-N
MW264.07 g/mol
LogP2.13
Rot. Bonds3

About 1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone

1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone (PubChem CID 117414294) has the molecular formula C9H8BrF2NO and a molecular weight of 264.07 g/mol. Its IUPAC name is 1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone
PubChem CID117414294
Molecular FormulaC9H8BrF2NO
Molecular Weight264.07 g/mol
Exact Mass262.98
IUPAC Name1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(F)c(F)cc1Br
InChIInChI=1S/C9H8BrF2NO/c1-13-4-9(14)5-2-7(11)8(12)3-6(5)10/h2-3,13H,4H2,1H3
InChIKeyOEZOTQNWASJFJH-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2,5-difluorophenyl)-2-(methylamino)ethanone
CID 84807262
1-(2-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464837
1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone
CID 84811946
1-(4-chloro-2,5-difluorophenyl)-2-(methylamino)ethanone
CID 84787100
1-(5-bromo-2-chloro-3-fluorophenyl)-2-(methylamino)ethanone
CID 117450498
1-(4-chloro-2,3,5-trifluorophenyl)-2-(methylamino)ethanone
CID 117108354
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone
CID 84784327
1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone
CID 117471718
1-(4-bromo-5-hydroxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84805710
1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone
CID 84713744
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone
CID 117315976
1-(3-bromo-2-chloro-6-fluorophenyl)-2-(methylamino)ethanone
CID 117450497

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone (CID 117414294) is 1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(F)c(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone?
The InChIKey is OEZOTQNWASJFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO/c1-13-4-9(14)5-2-7(11)8(12)3-6(5)10/h2-3,13H,4H2,1H3.
What are the key properties of 1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone?
1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone has a molecular weight of 264.07 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-difluorophenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117414294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).