1-(2,5-dibromothiophen-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone

C9H8Br2F3NOS — CID 60892162

IUPAC1-(2,5-dibromothiophen-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCN(CC(=O)c1cc(Br)sc1Br)CC(F)(F)F
InChIInChI=1S/C9H8Br2F3NOS/c1-15(4-9(12,13)14)3-6(16)5-2-7(10)17-8(5)11/h2H,3-4H2,1H3
InChIKeyAPRURXCCAPETRF-UHFFFAOYSA-N
MW395.04 g/mol
LogP3.95
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone

1-(2,5-dibromothiophen-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 60892162) has the molecular formula C9H8Br2F3NOS and a molecular weight of 395.04 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID60892162
Molecular FormulaC9H8Br2F3NOS
Molecular Weight395.04 g/mol
Exact Mass392.86
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCN(CC(=O)c1cc(Br)sc1Br)CC(F)(F)F
InChIInChI=1S/C9H8Br2F3NOS/c1-15(4-9(12,13)14)3-6(16)5-2-7(10)17-8(5)11/h2H,3-4H2,1H3
InChIKeyAPRURXCCAPETRF-UHFFFAOYSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.04
LogP ≤ 53.95
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-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone (CID 60892162) is 1-(2,5-dibromothiophen-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone is CN(CC(=O)c1cc(Br)sc1Br)CC(F)(F)F.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is APRURXCCAPETRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2F3NOS/c1-15(4-9(12,13)14)3-6(16)5-2-7(10)17-8(5)11/h2H,3-4H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(2,5-dibromothiophen-3-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 395.04 g/mol, XLogP of 3.95, 4 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-[methyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 60892162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).