1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone

C12H7Br2FOS — CID 114894393

IUPAC1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Br)s1)c1cc(Br)ccc1F
InChIInChI=1S/C12H7Br2FOS/c13-7-1-3-10(15)9(5-7)11(16)6-8-2-4-12(14)17-8/h1-5H,6H2
InChIKeyVFFOVKFMNBAYAZ-UHFFFAOYSA-N
MW378.06 g/mol
LogP4.84
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone

1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone (PubChem CID 114894393) has the molecular formula C12H7Br2FOS and a molecular weight of 378.06 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
PubChem CID114894393
Molecular FormulaC12H7Br2FOS
Molecular Weight378.06 g/mol
Exact Mass375.86
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Br)s1)c1cc(Br)ccc1F
InChIInChI=1S/C12H7Br2FOS/c13-7-1-3-10(15)9(5-7)11(16)6-8-2-4-12(14)17-8/h1-5H,6H2
InChIKeyVFFOVKFMNBAYAZ-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.06
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone
CID 114967419
2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethanone
CID 107944363
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114967348
1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 82809288
2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62622151
2-(5-bromothiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114967329
1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 62620833
2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 114894273
2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885220
1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 107944362
1-(5-bromo-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 79742726
1-(5-bromo-2-fluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826352

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone (CID 114894393) is 1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone is O=C(Cc1ccc(Br)s1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone?
The InChIKey is VFFOVKFMNBAYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2FOS/c13-7-1-3-10(15)9(5-7)11(16)6-8-2-4-12(14)17-8/h1-5H,6H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone?
1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone has a molecular weight of 378.06 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 114894393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).