2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone

C12H7BrClFOS — CID 115790097

IUPAC2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(Cc1cccc(F)c1Br)c1ccc(Cl)s1
InChIInChI=1S/C12H7BrClFOS/c13-12-7(2-1-3-8(12)15)6-9(16)10-4-5-11(14)17-10/h1-5H,6H2
InChIKeyJFJDGRQINSWTJQ-UHFFFAOYSA-N
MW333.61 g/mol
LogP4.73
Rot. Bonds3

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

2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone (PubChem CID 115790097) has the molecular formula C12H7BrClFOS and a molecular weight of 333.61 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone
PubChem CID115790097
Molecular FormulaC12H7BrClFOS
Molecular Weight333.61 g/mol
Exact Mass331.91
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(Cc1cccc(F)c1Br)c1ccc(Cl)s1
InChIInChI=1S/C12H7BrClFOS/c13-12-7(2-1-3-8(12)15)6-9(16)10-4-5-11(14)17-10/h1-5H,6H2
InChIKeyJFJDGRQINSWTJQ-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-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 115790146
2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 114894273
1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone
CID 82791761
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115790101
2-(2-bromo-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105121373
1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone
CID 114974177
2-(2-bromo-3-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanone
CID 115790040
(2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 116597564
2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanone
CID 105121285
2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105121347
1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone
CID 55225077

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone (CID 115790097) is 2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone is O=C(Cc1cccc(F)c1Br)c1ccc(Cl)s1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is JFJDGRQINSWTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFOS/c13-12-7(2-1-3-8(12)15)6-9(16)10-4-5-11(14)17-10/h1-5H,6H2.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone?
2-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)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-(2-bromo-3-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 115790097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).