2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone

C12H7BrF2OS — CID 55096078

IUPAC2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(Br)cs1)c1cc(F)cc(F)c1
InChIInChI=1S/C12H7BrF2OS/c13-8-3-11(17-6-8)5-12(16)7-1-9(14)4-10(15)2-7/h1-4,6H,5H2
InChIKeyZCGKXSRFQXOYRE-UHFFFAOYSA-N
MW317.15 g/mol
LogP4.21
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone

2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone (PubChem CID 55096078) has the molecular formula C12H7BrF2OS and a molecular weight of 317.15 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone
PubChem CID55096078
Molecular FormulaC12H7BrF2OS
Molecular Weight317.15 g/mol
Exact Mass315.94
IUPAC Name2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(Br)cs1)c1cc(F)cc(F)c1
InChIInChI=1S/C12H7BrF2OS/c13-8-3-11(17-6-8)5-12(16)7-1-9(14)4-10(15)2-7/h1-4,6H,5H2
InChIKeyZCGKXSRFQXOYRE-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

2-(4-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969477
2-(4-bromothiophen-2-yl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanone
CID 114969486
2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone
CID 61055894
2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 114969456
2-(4-bromothiophen-2-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114969447
2-(4-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethanone
CID 114969425
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide
CID 112695551
2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114969436
1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
CID 62621383
1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone
CID 105412119
1-(3-bromofuran-2-yl)-2-(4-bromothiophen-2-yl)ethanone
CID 164655288
2-(4-bromothiophen-2-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105092482

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone (CID 55096078) is 2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone is O=C(Cc1cc(Br)cs1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone?
The InChIKey is ZCGKXSRFQXOYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2OS/c13-8-3-11(17-6-8)5-12(16)7-1-9(14)4-10(15)2-7/h1-4,6H,5H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone?
2-(4-bromothiophen-2-yl)-1-(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 2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 55096078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).