2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone

C12H7BrClFOS — CID 114885220

IUPAC2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone
SMILESO=C(Cc1cc(Br)cs1)c1cc(Cl)ccc1F
InChIInChI=1S/C12H7BrClFOS/c13-7-3-9(17-6-7)5-12(16)10-4-8(14)1-2-11(10)15/h1-4,6H,5H2
InChIKeyBLUMLBCCVMPBOE-UHFFFAOYSA-N
MW333.61 g/mol
LogP4.73
Rot. Bonds3

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

2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone (PubChem CID 114885220) has the molecular formula C12H7BrClFOS and a molecular weight of 333.61 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone
PubChem CID114885220
Molecular FormulaC12H7BrClFOS
Molecular Weight333.61 g/mol
Exact Mass331.91
IUPAC Name2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone
SMILESO=C(Cc1cc(Br)cs1)c1cc(Cl)ccc1F
InChIInChI=1S/C12H7BrClFOS/c13-7-3-9(17-6-7)5-12(16)10-4-8(14)1-2-11(10)15/h1-4,6H,5H2
InChIKeyBLUMLBCCVMPBOE-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 114969456
1-(2-bromophenyl)-2-(4-bromothiophen-2-yl)ethanone
CID 62621383
2-(4-bromothiophen-2-yl)-1-(3,5-difluorophenyl)ethanone
CID 55096078
2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanone
CID 63409337
1-(5-bromo-2-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 114894393
2-(4-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114969436
1-(5-chloro-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586851
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885223
1-(5-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865288
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114967348

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone (CID 114885220) is 2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone is O=C(Cc1cc(Br)cs1)c1cc(Cl)ccc1F.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone?
The InChIKey is BLUMLBCCVMPBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFOS/c13-7-3-9(17-6-7)5-12(16)10-4-8(14)1-2-11(10)15/h1-4,6H,5H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone?
2-(4-bromothiophen-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone has a molecular weight of 333.61 g/mol, XLogP of 4.73, 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-(5-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 114885220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).