2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone

C8H5Br2FO2 — CID 130981592

IUPAC2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone
SMILESO=C(CBr)c1c(F)ccc(O)c1Br
InChIInChI=1S/C8H5Br2FO2/c9-3-6(13)7-4(11)1-2-5(12)8(7)10/h1-2,12H,3H2
InChIKeyAQAQCLGKVMZZNE-UHFFFAOYSA-N
MW311.93 g/mol
LogP2.87
Rot. Bonds2

About 2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone

2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone (PubChem CID 130981592) has the molecular formula C8H5Br2FO2 and a molecular weight of 311.93 g/mol. Its IUPAC name is 2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone
PubChem CID130981592
Molecular FormulaC8H5Br2FO2
Molecular Weight311.93 g/mol
Exact Mass309.86
IUPAC Name2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone
SMILESO=C(CBr)c1c(F)ccc(O)c1Br
InChIInChI=1S/C8H5Br2FO2/c9-3-6(13)7-4(11)1-2-5(12)8(7)10/h1-2,12H,3H2
InChIKeyAQAQCLGKVMZZNE-UHFFFAOYSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.93
LogP ≤ 52.87
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

2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone
CID 122235406
1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone
CID 84795792
ethyl 2-bromo-6-fluoro-3-hydroxybenzoate
CID 130800843
2-bromo-1-(3,6-difluoro-2-nitrophenyl)ethanone
CID 131580407
2-bromo-1-(2,3-diamino-6-fluorophenyl)ethanone
CID 171025263
2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone
CID 122237020
2-bromo-1-(2-bromo-3-hydroxyphenyl)ethanone
CID 130883630
2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone
CID 126970439
2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride
CID 122361145
1-(3-amino-6-fluoro-2-nitrophenyl)-2-bromoethanone
CID 171018099
1-(2-amino-3-bromo-4-fluorophenyl)-2-bromoethanone
CID 171016538
2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone
CID 171007000

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone (CID 130981592) is 2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone is O=C(CBr)c1c(F)ccc(O)c1Br.
What is the InChIKey of 2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone?
The InChIKey is AQAQCLGKVMZZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2FO2/c9-3-6(13)7-4(11)1-2-5(12)8(7)10/h1-2,12H,3H2.
What are the key properties of 2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone?
2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone has a molecular weight of 311.93 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-bromo-6-fluoro-3-hydroxyphenyl)ethanone is sourced from PubChem (CID 130981592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).