1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone

C12H7Br2FOS — CID 82809288

IUPAC1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Br)s1)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H7Br2FOS/c13-9-5-7(1-3-10(9)15)11(16)6-8-2-4-12(14)17-8/h1-5H,6H2
InChIKeyDXXKVRWLPHWUPS-UHFFFAOYSA-N
MW378.06 g/mol
LogP4.84
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone

1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone (PubChem CID 82809288) has the molecular formula C12H7Br2FOS and a molecular weight of 378.06 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
PubChem CID82809288
Molecular FormulaC12H7Br2FOS
Molecular Weight378.06 g/mol
Exact Mass375.86
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Br)s1)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H7Br2FOS/c13-9-5-7(1-3-10(9)15)11(16)6-8-2-4-12(14)17-8/h1-5H,6H2
InChIKeyDXXKVRWLPHWUPS-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-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114967329
1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 114894393
1-(4-amino-3-methylphenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 116553879
2-bromo-1-(3-bromo-4-fluorophenyl)ethanone
CID 2782783
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324
1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 107944362
2-(5-bromothiophen-2-yl)-1-(3-iodophenyl)ethanone
CID 114967386
1-(3-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 82808650
2-(5-bromothiophen-2-yl)-1-(3,4-diethoxyphenyl)ethanone
CID 114967422
1-(3-bromo-4-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114854275
1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 81467093
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114967348

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone (CID 82809288) is 1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone is O=C(Cc1ccc(Br)s1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone?
The InChIKey is DXXKVRWLPHWUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2FOS/c13-9-5-7(1-3-10(9)15)11(16)6-8-2-4-12(14)17-8/h1-5H,6H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone?
1-(3-bromo-4-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-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 82809288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).