1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone

C14H9Br2FO2 — CID 82967321

IUPAC1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Br)ccc1Oc1ccc(F)cc1Br
InChIInChI=1S/C14H9Br2FO2/c1-8(18)11-6-9(15)2-4-13(11)19-14-5-3-10(17)7-12(14)16/h2-7H,1H3
InChIKeyAJVDAZNEQQACOZ-UHFFFAOYSA-N
MW388.03 g/mol
LogP5.35
Rot. Bonds3

About 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone

1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone (PubChem CID 82967321) has the molecular formula C14H9Br2FO2 and a molecular weight of 388.03 g/mol. Its IUPAC name is 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone
PubChem CID82967321
Molecular FormulaC14H9Br2FO2
Molecular Weight388.03 g/mol
Exact Mass385.90
IUPAC Name1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Br)ccc1Oc1ccc(F)cc1Br
InChIInChI=1S/C14H9Br2FO2/c1-8(18)11-6-9(15)2-4-13(11)19-14-5-3-10(17)7-12(14)16/h2-7H,1H3
InChIKeyAJVDAZNEQQACOZ-UHFFFAOYSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.03
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone
CID 63532818
1-[5-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966681
1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone
CID 104707843
1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone
CID 82972451
1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966680
1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone
CID 83234460
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 82956350
4-bromo-2-(2-bromo-4-fluorophenoxy)aniline
CID 65342586
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966600
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone?
The IUPAC name of 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone (CID 82967321) is 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone is CC(=O)c1cc(Br)ccc1Oc1ccc(F)cc1Br.
What is the InChIKey of 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone?
The InChIKey is AJVDAZNEQQACOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2FO2/c1-8(18)11-6-9(15)2-4-13(11)19-14-5-3-10(17)7-12(14)16/h2-7H,1H3.
What are the key properties of 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone?
1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone has a molecular weight of 388.03 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone is sourced from PubChem (CID 82967321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).