1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone

C8H5BrFNO3 — CID 122237244

IUPAC1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone
SMILESCC(=O)c1cc(F)c([N+](=O)[O-])cc1Br
InChIInChI=1S/C8H5BrFNO3/c1-4(12)5-2-7(10)8(11(13)14)3-6(5)9/h2-3H,1H3
InChIKeyRHDVLWGBZMDXIA-UHFFFAOYSA-N
MW262.03 g/mol
LogP2.70
Rot. Bonds2

About 1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone

1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone (PubChem CID 122237244) has the molecular formula C8H5BrFNO3 and a molecular weight of 262.03 g/mol. Its IUPAC name is 1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone
PubChem CID122237244
Molecular FormulaC8H5BrFNO3
Molecular Weight262.03 g/mol
Exact Mass260.94
IUPAC Name1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone
SMILESCC(=O)c1cc(F)c([N+](=O)[O-])cc1Br
InChIInChI=1S/C8H5BrFNO3/c1-4(12)5-2-7(10)8(11(13)14)3-6(5)9/h2-3H,1H3
InChIKeyRHDVLWGBZMDXIA-UHFFFAOYSA-N
XLogP2.70
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.03
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-5-chloro-4-nitrophenyl)ethanone
CID 131491597
1-(2-bromo-4-hydroxy-5-nitrophenyl)ethanone
CID 131585352
1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone
CID 131610488
1-(2-chloro-4-fluoro-5-nitrophenyl)ethanone
CID 18314484
1-[2-bromo-5-nitro-4-(trifluoromethyl)phenyl]ethanone
CID 171002976
2-bromo-5-fluoro-4-nitrophenol
CID 66598465
1-[2-(difluoromethoxy)-5-fluoro-4-nitrophenyl]ethanone
CID 171031882
4-bromo-5-fluoro-2-nitrobenzoyl chloride
CID 124925511
acetic acid;1,2,4-trifluoro-5-nitrobenzene
CID 174830046
1-(2,5-dibromo-4-fluorophenyl)ethanone
CID 119017691
2-bromo-5-fluoro-4-nitroaniline
CID 57488513
1-[2-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 103483326

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone?
The IUPAC name of 1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone (CID 122237244) is 1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone is CC(=O)c1cc(F)c([N+](=O)[O-])cc1Br.
What is the InChIKey of 1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone?
The InChIKey is RHDVLWGBZMDXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNO3/c1-4(12)5-2-7(10)8(11(13)14)3-6(5)9/h2-3H,1H3.
What are the key properties of 1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone?
1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone has a molecular weight of 262.03 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone is sourced from PubChem (CID 122237244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).