2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone

C12H7Br2FO2S — CID 65201508

IUPAC2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone
SMILESO=C(COc1ccc(Br)c(F)c1)c1sccc1Br
InChIInChI=1S/C12H7Br2FO2S/c13-8-2-1-7(5-10(8)15)17-6-11(16)12-9(14)3-4-18-12/h1-5H,6H2
InChIKeyMSIFXBJDNFCOAL-UHFFFAOYSA-N
MW394.06 g/mol
LogP4.67
Rot. Bonds4

About 2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone

2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone (PubChem CID 65201508) has the molecular formula C12H7Br2FO2S and a molecular weight of 394.06 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone
PubChem CID65201508
Molecular FormulaC12H7Br2FO2S
Molecular Weight394.06 g/mol
Exact Mass391.85
IUPAC Name2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone
SMILESO=C(COc1ccc(Br)c(F)c1)c1sccc1Br
InChIInChI=1S/C12H7Br2FO2S/c13-8-2-1-7(5-10(8)15)17-6-11(16)12-9(14)3-4-18-12/h1-5H,6H2
InChIKeyMSIFXBJDNFCOAL-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.06
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromothiophen-2-yl)-2-(3-fluoro-4-methylphenoxy)ethanone
CID 107169832
1-(3-bromothiophen-2-yl)-2-(3-methylphenoxy)ethanone
CID 43799889
2-(4-bromo-3-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 65201551
1-(3-bromothiophen-2-yl)-2-(4-methylsulfonylphenoxy)ethanone
CID 43803922
1-(3-bromothiophen-2-yl)-2-(3-chloro-4-nitrophenoxy)ethanone
CID 47443101
6-[2-(3-bromothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 62033653
7-[2-(3-bromothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114939921
1-(3-bromothiophen-2-yl)-2-(4-methoxy-3-nitrophenoxy)ethanone
CID 103201861
2-(3,4-difluorophenoxy)-1-thiophen-2-ylethanone
CID 43612539
2-(2-bromo-5-nitrophenoxy)-1-(3-bromothiophen-2-yl)ethanone
CID 102975127
4-(4-bromo-3-fluorophenoxy)-3-methylbut-2-enoic acid
CID 77059520
1-(3-bromothiophen-2-yl)-2-(2-tert-butylphenoxy)ethanone
CID 43799738

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone (CID 65201508) is 2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone is O=C(COc1ccc(Br)c(F)c1)c1sccc1Br.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone?
The InChIKey is MSIFXBJDNFCOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2FO2S/c13-8-2-1-7(5-10(8)15)17-6-11(16)12-9(14)3-4-18-12/h1-5H,6H2.
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone?
2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone has a molecular weight of 394.06 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 65201508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).