1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone

C12H7Br2FO2S — CID 43220054

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone
SMILESO=C(COc1cccc(F)c1)c1cc(Br)sc1Br
InChIInChI=1S/C12H7Br2FO2S/c13-11-5-9(12(14)18-11)10(16)6-17-8-3-1-2-7(15)4-8/h1-5H,6H2
InChIKeyIMBSZLBCEGBYBR-UHFFFAOYSA-N
MW394.06 g/mol
LogP4.67
Rot. Bonds4

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

1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone (PubChem CID 43220054) has the molecular formula C12H7Br2FO2S and a molecular weight of 394.06 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone
PubChem CID43220054
Molecular FormulaC12H7Br2FO2S
Molecular Weight394.06 g/mol
Exact Mass391.85
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone
SMILESO=C(COc1cccc(F)c1)c1cc(Br)sc1Br
InChIInChI=1S/C12H7Br2FO2S/c13-11-5-9(12(14)18-11)10(16)6-17-8-3-1-2-7(15)4-8/h1-5H,6H2
InChIKeyIMBSZLBCEGBYBR-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.06
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone
CID 63566702
1-(2,5-dibromothiophen-3-yl)-2-(2-phenoxyethoxy)ethanone
CID 43798615
2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60625676
2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone
CID 43218799
2-(2-bromo-6-nitrophenoxy)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 81496873
1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43220137
2-(3-fluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 43413421
2-(3-fluorophenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43413394
1-(2,5-dibromothiophen-3-yl)-2-(2-fluoro-4-nitrophenoxy)ethanone
CID 60778912
1-(2,5-dibromothiophen-3-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 60652032
1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenoxy)ethanone
CID 43220072
2-(3-bromo-5-nitrophenoxy)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 103588980

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone (CID 43220054) is 1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone is O=C(COc1cccc(F)c1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone?
The InChIKey is IMBSZLBCEGBYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2FO2S/c13-11-5-9(12(14)18-11)10(16)6-17-8-3-1-2-7(15)4-8/h1-5H,6H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone?
1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone has a molecular weight of 394.06 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(3-fluorophenoxy)ethanone is sourced from PubChem (CID 43220054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).