1-(5-bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone

C11H13BrF3NOS — CID 55010366

IUPAC1-(5-bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCC(C)N(CC(=O)c1ccc(Br)s1)CC(F)(F)F
InChIInChI=1S/C11H13BrF3NOS/c1-7(2)16(6-11(13,14)15)5-8(17)9-3-4-10(12)18-9/h3-4,7H,5-6H2,1-2H3
InChIKeyJLAGEQRZSFLUCA-UHFFFAOYSA-N
MW344.20 g/mol
LogP3.97
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone

1-(5-bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 55010366) has the molecular formula C11H13BrF3NOS and a molecular weight of 344.20 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID55010366
Molecular FormulaC11H13BrF3NOS
Molecular Weight344.20 g/mol
Exact Mass342.99
IUPAC Name1-(5-bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCC(C)N(CC(=O)c1ccc(Br)s1)CC(F)(F)F
InChIInChI=1S/C11H13BrF3NOS/c1-7(2)16(6-11(13,14)15)5-8(17)9-3-4-10(12)18-9/h3-4,7H,5-6H2,1-2H3
InChIKeyJLAGEQRZSFLUCA-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone (CID 55010366) is 1-(5-bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone is CC(C)N(CC(=O)c1ccc(Br)s1)CC(F)(F)F.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is JLAGEQRZSFLUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NOS/c1-7(2)16(6-11(13,14)15)5-8(17)9-3-4-10(12)18-9/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone?
1-(5-bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 344.20 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 55010366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).