1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone

C12H7BrF2OS — CID 105405260

IUPAC1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1ccc(Br)s1
InChIInChI=1S/C12H7BrF2OS/c13-12-2-1-11(17-12)10(16)5-7-3-8(14)6-9(15)4-7/h1-4,6H,5H2
InChIKeyLTJYTXOIQNGRPF-UHFFFAOYSA-N
MW317.15 g/mol
LogP4.21
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone

1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone (PubChem CID 105405260) has the molecular formula C12H7BrF2OS and a molecular weight of 317.15 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone
PubChem CID105405260
Molecular FormulaC12H7BrF2OS
Molecular Weight317.15 g/mol
Exact Mass315.94
IUPAC Name1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1ccc(Br)s1
InChIInChI=1S/C12H7BrF2OS/c13-12-2-1-11(17-12)10(16)5-7-3-8(14)6-9(15)4-7/h1-4,6H,5H2
InChIKeyLTJYTXOIQNGRPF-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61078975
1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanone
CID 62504415
1-(5-bromothiophen-2-yl)-2-(furan-3-yl)ethanone
CID 83171153
1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone
CID 105412119
1-(5-bromothiophen-2-yl)-2-pyrimidin-2-ylethanone
CID 116833033
2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 107967710
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631
1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 80532635
1-(5-bromothiophen-2-yl)-4-hydroxybutan-1-one
CID 82119052
1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412124
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CID 43227068

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone (CID 105405260) is 1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone is O=C(Cc1cc(F)cc(F)c1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone?
The InChIKey is LTJYTXOIQNGRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2OS/c13-12-2-1-11(17-12)10(16)5-7-3-8(14)6-9(15)4-7/h1-4,6H,5H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone?
1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone has a molecular weight of 317.15 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 105405260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).