1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone

C12H8BrFOS — CID 114559851

IUPAC1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)c1c(F)cccc1Br
InChIInChI=1S/C12H8BrFOS/c13-9-2-1-3-10(14)12(9)11(15)6-8-4-5-16-7-8/h1-5,7H,6H2
InChIKeyOGTXFNXIILDUNF-UHFFFAOYSA-N
MW299.16 g/mol
LogP4.08
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone

1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone (PubChem CID 114559851) has the molecular formula C12H8BrFOS and a molecular weight of 299.16 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone
PubChem CID114559851
Molecular FormulaC12H8BrFOS
Molecular Weight299.16 g/mol
Exact Mass297.95
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)c1c(F)cccc1Br
InChIInChI=1S/C12H8BrFOS/c13-9-2-1-3-10(14)12(9)11(15)6-8-4-5-16-7-8/h1-5,7H,6H2
InChIKeyOGTXFNXIILDUNF-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one
CID 114885453
2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 114559566
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338
1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114885464
1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 114559875
1-(3-bromo-2-fluorophenyl)-3-thiophen-3-ylpropan-1-one
CID 107957142
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(2,6-difluorophenyl)ethanone
CID 62036847
3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 106544257
1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 55144449
N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide
CID 81314024
1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol
CID 114885636

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone (CID 114559851) is 1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone?
The InChIKey is OGTXFNXIILDUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFOS/c13-9-2-1-3-10(14)12(9)11(15)6-8-4-5-16-7-8/h1-5,7H,6H2.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone?
1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone has a molecular weight of 299.16 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 114559851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).