1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone

C13H10BrFO2S — CID 104793438

IUPAC1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2cc(Br)cs2)c1F
InChIInChI=1S/C13H10BrFO2S/c1-17-11-4-2-3-8(13(11)15)5-10(16)12-6-9(14)7-18-12/h2-4,6-7H,5H2,1H3
InChIKeyWFDREQGTHVUVMP-UHFFFAOYSA-N
MW329.19 g/mol
LogP4.08
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone

1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone (PubChem CID 104793438) has the molecular formula C13H10BrFO2S and a molecular weight of 329.19 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
PubChem CID104793438
Molecular FormulaC13H10BrFO2S
Molecular Weight329.19 g/mol
Exact Mass327.96
IUPAC Name1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2cc(Br)cs2)c1F
InChIInChI=1S/C13H10BrFO2S/c1-17-11-4-2-3-8(13(11)15)5-10(16)12-6-9(14)7-18-12/h2-4,6-7H,5H2,1H3
InChIKeyWFDREQGTHVUVMP-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800177
1-(5-bromo-2-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800078
1-(2-bromo-5-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800218
1-(1-benzothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800328
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 104793432
1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 113453735
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 104793354
2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone
CID 113453750
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one
CID 62620804
1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793415

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone (CID 104793438) is 1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone is COc1cccc(CC(=O)c2cc(Br)cs2)c1F.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The InChIKey is WFDREQGTHVUVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO2S/c1-17-11-4-2-3-8(13(11)15)5-10(16)12-6-9(14)7-18-12/h2-4,6-7H,5H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone has a molecular weight of 329.19 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 104793438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).