2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone

C12H6BrCl2FO2S — CID 81331985

IUPAC2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone
SMILESO=C(COc1cc(F)cc(Br)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H6BrCl2FO2S/c13-6-1-7(16)3-8(2-6)18-5-10(17)9-4-11(14)19-12(9)15/h1-4H,5H2
InChIKeyWKRJALOJFNOLOL-UHFFFAOYSA-N
MW384.05 g/mol
LogP5.22
Rot. Bonds4

About 2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone

2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone (PubChem CID 81331985) has the molecular formula C12H6BrCl2FO2S and a molecular weight of 384.05 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone
PubChem CID81331985
Molecular FormulaC12H6BrCl2FO2S
Molecular Weight384.05 g/mol
Exact Mass381.86
IUPAC Name2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone
SMILESO=C(COc1cc(F)cc(Br)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H6BrCl2FO2S/c13-6-1-7(16)3-8(2-6)18-5-10(17)9-4-11(14)19-12(9)15/h1-4H,5H2
InChIKeyWKRJALOJFNOLOL-UHFFFAOYSA-N
XLogP5.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.05
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 81315134
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43248312
2-(3-bromo-5-fluorophenoxy)-1-phenylethanone
CID 81332556
1-(2,5-dichlorothiophen-3-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60652315
1-(2,5-dichlorothiophen-3-yl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60652429
4-(3-bromo-5-fluorophenoxy)-3-oxobutanoic acid
CID 166063563
2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone
CID 81331658
2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 81315368
1-bromo-3-[2-(chloromethyl)prop-2-enoxy]-5-fluorobenzene
CID 103066166
2-(4-butylphenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 115492871
1-(2,5-dichlorothiophen-3-yl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43220131

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone (CID 81331985) is 2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone is O=C(COc1cc(F)cc(Br)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone?
The InChIKey is WKRJALOJFNOLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2FO2S/c13-6-1-7(16)3-8(2-6)18-5-10(17)9-4-11(14)19-12(9)15/h1-4H,5H2.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone?
2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone has a molecular weight of 384.05 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone is sourced from PubChem (CID 81331985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).