1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone

C8H5BrClFO2 — CID 131118712

IUPAC1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone
SMILESO=C(CCl)c1cc(O)c(Br)cc1F
InChIInChI=1S/C8H5BrClFO2/c9-5-2-6(11)4(1-7(5)12)8(13)3-10/h1-2,12H,3H2
InChIKeyWUMDSRXLZPRTBV-UHFFFAOYSA-N
MW267.48 g/mol
LogP2.72
Rot. Bonds2

About 1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone

1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone (PubChem CID 131118712) has the molecular formula C8H5BrClFO2 and a molecular weight of 267.48 g/mol. Its IUPAC name is 1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone
PubChem CID131118712
Molecular FormulaC8H5BrClFO2
Molecular Weight267.48 g/mol
Exact Mass265.91
IUPAC Name1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone
SMILESO=C(CCl)c1cc(O)c(Br)cc1F
InChIInChI=1S/C8H5BrClFO2/c9-5-2-6(11)4(1-7(5)12)8(13)3-10/h1-2,12H,3H2
InChIKeyWUMDSRXLZPRTBV-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone
CID 131292332
4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide
CID 154676898
2-(2-chloroacetyl)-5-fluoro-4-hydroxybenzonitrile
CID 171020892
1-(4-amino-2-bromo-5-fluorophenyl)-2-chloroethanone
CID 171016614
1-(2-amino-5-bromo-4-fluorophenyl)-2-chloroethanone
CID 167472486
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
CID 130777818
1-(2-bromo-4-chlorophenyl)-2-chloroethanone
CID 103693977
2-chloro-1-(2,3-difluoro-5-hydroxyphenyl)ethanone
CID 130968300
1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone
CID 131620004
1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane
CID 142097721
2-bromo-4-fluoro-5-hydroxybenzoic acid
CID 66545185

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone?
The IUPAC name of 1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone (CID 131118712) is 1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone.
What is the SMILES notation for 1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone?
The canonical SMILES for 1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone is O=C(CCl)c1cc(O)c(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone?
The InChIKey is WUMDSRXLZPRTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFO2/c9-5-2-6(11)4(1-7(5)12)8(13)3-10/h1-2,12H,3H2.
What are the key properties of 1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone?
1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone has a molecular weight of 267.48 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone is sourced from PubChem (CID 131118712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).