2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone

C13H10BrFOS — CID 62622151

IUPAC2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1C(=O)Cc1ccc(Br)s1
InChIInChI=1S/C13H10BrFOS/c1-8-2-3-9(15)6-11(8)12(16)7-10-4-5-13(14)17-10/h2-6H,7H2,1H3
InChIKeyWHDOMNXHJMKFQB-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.38
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone

2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone (PubChem CID 62622151) has the molecular formula C13H10BrFOS and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
PubChem CID62622151
Molecular FormulaC13H10BrFOS
Molecular Weight313.19 g/mol
Exact Mass311.96
IUPAC Name2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1C(=O)Cc1ccc(Br)s1
InChIInChI=1S/C13H10BrFOS/c1-8-2-3-9(15)6-11(8)12(16)7-10-4-5-13(14)17-10/h2-6H,7H2,1H3
InChIKeyWHDOMNXHJMKFQB-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 114894393
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
2-(5-bromothiophen-2-yl)-1-(2,5-dibromophenyl)ethanone
CID 114967419
2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethanone
CID 107944363
1-(4-amino-3-methylphenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 116553879
1-(2-bromophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 62620833
2-(5-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanone
CID 104799482
1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone
CID 65477472
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114967348
2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101557
1-(3-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 82809288
2-(2,6-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 55187917

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone (CID 62622151) is 2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone is Cc1ccc(F)cc1C(=O)Cc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone?
The InChIKey is WHDOMNXHJMKFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFOS/c1-8-2-3-9(15)6-11(8)12(16)7-10-4-5-13(14)17-10/h2-6H,7H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone?
2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone has a molecular weight of 313.19 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 62622151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).