1-[3-bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone

C12H8BrFOS — CID 2808189

IUPAC1-[3-bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(F)cc2)cc1Br
InChIInChI=1S/C12H8BrFOS/c1-7(15)12-10(13)6-11(16-12)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKeyRFTIGVVDYXKCHD-UHFFFAOYSA-N
MW299.16 g/mol
LogP4.52
Rot. Bonds2

About 1-[3-bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone

1-[3-bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone (PubChem CID 2808189) has the molecular formula C12H8BrFOS and a molecular weight of 299.16 g/mol. Its IUPAC name is 1-[3-bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone
PubChem CID2808189
Molecular FormulaC12H8BrFOS
Molecular Weight299.16 g/mol
Exact Mass297.95
IUPAC Name1-[3-bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(F)cc2)cc1Br
InChIInChI=1S/C12H8BrFOS/c1-7(15)12-10(13)6-11(16-12)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKeyRFTIGVVDYXKCHD-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone (CID 2808189) is 1-[3-bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone is CC(=O)c1sc(-c2ccc(F)cc2)cc1Br.
What is the InChIKey of 1-[3-bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone?
The InChIKey is RFTIGVVDYXKCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFOS/c1-7(15)12-10(13)6-11(16-12)8-2-4-9(14)5-3-8/h2-6H,1H3.
What are the key properties of 1-[3-bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone?
1-[3-bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone has a molecular weight of 299.16 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(4-fluorophenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 2808189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).