1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone

C13H8BrF3O2S — CID 60624529

IUPAC1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
SMILESO=C(COc1cccc(C(F)(F)F)c1)c1ccc(Br)s1
InChIInChI=1S/C13H8BrF3O2S/c14-12-5-4-11(20-12)10(18)7-19-9-3-1-2-8(6-9)13(15,16)17/h1-6H,7H2
InChIKeyAPQGQHXQBIDWRZ-UHFFFAOYSA-N
MW365.17 g/mol
LogP4.79
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone

1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone (PubChem CID 60624529) has the molecular formula C13H8BrF3O2S and a molecular weight of 365.17 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
PubChem CID60624529
Molecular FormulaC13H8BrF3O2S
Molecular Weight365.17 g/mol
Exact Mass363.94
IUPAC Name1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
SMILESO=C(COc1cccc(C(F)(F)F)c1)c1ccc(Br)s1
InChIInChI=1S/C13H8BrF3O2S/c14-12-5-4-11(20-12)10(18)7-19-9-3-1-2-8(6-9)13(15,16)17/h1-6H,7H2
InChIKeyAPQGQHXQBIDWRZ-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
N-[3-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]phenyl]acetamide
CID 60626981
1-bromo-3-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 87404421
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
4-(5-chlorothiophen-2-yl)-4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]butanehydrazide
CID 55350664
1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 1471533
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 2413634
4-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]-2-fluorobenzonitrile
CID 78952740
1-(1-methylpyrrol-3-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 60624588
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
2-(3-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612220
1-(5-bromothiophen-2-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanone
CID 66275484

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone (CID 60624529) is 1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone is O=C(COc1cccc(C(F)(F)F)c1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone?
The InChIKey is APQGQHXQBIDWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3O2S/c14-12-5-4-11(20-12)10(18)7-19-9-3-1-2-8(6-9)13(15,16)17/h1-6H,7H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone?
1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone has a molecular weight of 365.17 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone is sourced from PubChem (CID 60624529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).