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

C10H10Br2F3NOS — CID 55010356

IUPAC1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCN(CC(=O)c1cc(Br)sc1Br)CC(F)(F)F
InChIInChI=1S/C10H10Br2F3NOS/c1-2-16(5-10(13,14)15)4-7(17)6-3-8(11)18-9(6)12/h3H,2,4-5H2,1H3
InChIKeyQLHHZUVRCFYOPT-UHFFFAOYSA-N
MW409.07 g/mol
LogP4.34
Rot. Bonds5

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

1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 55010356) has the molecular formula C10H10Br2F3NOS and a molecular weight of 409.07 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID55010356
Molecular FormulaC10H10Br2F3NOS
Molecular Weight409.07 g/mol
Exact Mass406.88
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCN(CC(=O)c1cc(Br)sc1Br)CC(F)(F)F
InChIInChI=1S/C10H10Br2F3NOS/c1-2-16(5-10(13,14)15)4-7(17)6-3-8(11)18-9(6)12/h3H,2,4-5H2,1H3
InChIKeyQLHHZUVRCFYOPT-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.07
LogP ≤ 54.34
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-[ethyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone (CID 55010356) is 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone is CCN(CC(=O)c1cc(Br)sc1Br)CC(F)(F)F.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is QLHHZUVRCFYOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2F3NOS/c1-2-16(5-10(13,14)15)4-7(17)6-3-8(11)18-9(6)12/h3H,2,4-5H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 409.07 g/mol, XLogP of 4.34, 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-[ethyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 55010356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).