1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone

C12H7Br2FOS — CID 80532635

IUPAC1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H7Br2FOS/c13-9-6-11(17-12(9)14)10(16)5-7-1-3-8(15)4-2-7/h1-4,6H,5H2
InChIKeyOTKXLAGSFGJRGM-UHFFFAOYSA-N
MW378.06 g/mol
LogP4.84
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone

1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 80532635) has the molecular formula C12H7Br2FOS and a molecular weight of 378.06 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone
PubChem CID80532635
Molecular FormulaC12H7Br2FOS
Molecular Weight378.06 g/mol
Exact Mass375.86
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H7Br2FOS/c13-9-6-11(17-12(9)14)10(16)5-7-1-3-8(15)4-2-7/h1-4,6H,5H2
InChIKeyOTKXLAGSFGJRGM-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.06
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 79989856
1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone
CID 114963430
1-(4,5-dibromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 80532396
1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone
CID 80532645
1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone
CID 115799108
1-(4,5-dibromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800177
2-(4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 61079517
1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone
CID 114966279
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324
1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone
CID 105078433
1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone
CID 102826685
4,5-dibromothiophene-2-carbonyl bromide
CID 15753564

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone (CID 80532635) is 1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is OTKXLAGSFGJRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2FOS/c13-9-6-11(17-12(9)14)10(16)5-7-1-3-8(15)4-2-7/h1-4,6H,5H2.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone?
1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 378.06 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 80532635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).