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

C12H6Br2F2OS — CID 80532645

IUPAC1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H6Br2F2OS/c13-8-5-11(18-12(8)14)10(17)3-6-1-2-7(15)4-9(6)16/h1-2,4-5H,3H2
InChIKeyKVRLIGQYGAZVJK-UHFFFAOYSA-N
MW396.05 g/mol
LogP4.98
Rot. Bonds3

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

1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone (PubChem CID 80532645) has the molecular formula C12H6Br2F2OS and a molecular weight of 396.05 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone
PubChem CID80532645
Molecular FormulaC12H6Br2F2OS
Molecular Weight396.05 g/mol
Exact Mass393.85
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H6Br2F2OS/c13-8-5-11(18-12(8)14)10(17)3-6-1-2-7(15)4-9(6)16/h1-2,4-5H,3H2
InChIKeyKVRLIGQYGAZVJK-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.05
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 80532635
1-(4,5-dibromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800177
1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone
CID 114963430
1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 114559875
1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone
CID 114966279
1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone
CID 64561569
2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
CID 81261384
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-fluorophenyl)ethanone
CID 102826498
4,5-dibromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 80536566
1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 107538119
2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone
CID 112655394
(4,5-dibromothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81105215

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone (CID 80532645) is 1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone is O=C(Cc1ccc(F)cc1F)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone?
The InChIKey is KVRLIGQYGAZVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2F2OS/c13-8-5-11(18-12(8)14)10(17)3-6-1-2-7(15)4-9(6)16/h1-2,4-5H,3H2.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone?
1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone has a molecular weight of 396.05 g/mol, XLogP of 4.98, 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-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 80532645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).