1-(2,5-dibromothiophen-3-yl)-2-(2,2-difluoroethoxy)ethanone

C8H6Br2F2O2S — CID 82006787

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(2,2-difluoroethoxy)ethanone
SMILESO=C(COCC(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C8H6Br2F2O2S/c9-6-1-4(8(10)15-6)5(13)2-14-3-7(11)12/h1,7H,2-3H2
InChIKeyCOIKTHFFDBDLOB-UHFFFAOYSA-N
MW364.01 g/mol
LogP3.74
Rot. Bonds5

About 1-(2,5-dibromothiophen-3-yl)-2-(2,2-difluoroethoxy)ethanone

1-(2,5-dibromothiophen-3-yl)-2-(2,2-difluoroethoxy)ethanone (PubChem CID 82006787) has the molecular formula C8H6Br2F2O2S and a molecular weight of 364.01 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(2,2-difluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(2,2-difluoroethoxy)ethanone
PubChem CID82006787
Molecular FormulaC8H6Br2F2O2S
Molecular Weight364.01 g/mol
Exact Mass361.84
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(2,2-difluoroethoxy)ethanone
SMILESO=C(COCC(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C8H6Br2F2O2S/c9-6-1-4(8(10)15-6)5(13)2-14-3-7(11)12/h1,7H,2-3H2
InChIKeyCOIKTHFFDBDLOB-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.01
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2,2-difluoroethoxy)ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2,2-difluoroethoxy)ethanone (CID 82006787) is 1-(2,5-dibromothiophen-3-yl)-2-(2,2-difluoroethoxy)ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(2,2-difluoroethoxy)ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(2,2-difluoroethoxy)ethanone is O=C(COCC(F)F)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(2,2-difluoroethoxy)ethanone?
The InChIKey is COIKTHFFDBDLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2F2O2S/c9-6-1-4(8(10)15-6)5(13)2-14-3-7(11)12/h1,7H,2-3H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(2,2-difluoroethoxy)ethanone?
1-(2,5-dibromothiophen-3-yl)-2-(2,2-difluoroethoxy)ethanone has a molecular weight of 364.01 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(2,2-difluoroethoxy)ethanone is sourced from PubChem (CID 82006787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).