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

C11H13BrF3NOS — CID 55010605

IUPAC1-(5-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCCN(CC(=O)c1ccc(Br)s1)CC(F)(F)F
InChIInChI=1S/C11H13BrF3NOS/c1-2-5-16(7-11(13,14)15)6-8(17)9-3-4-10(12)18-9/h3-4H,2,5-7H2,1H3
InChIKeyTVGCSUAECAWVKX-UHFFFAOYSA-N
MW344.20 g/mol
LogP3.97
Rot. Bonds6

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

1-(5-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 55010605) has the molecular formula C11H13BrF3NOS and a molecular weight of 344.20 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID55010605
Molecular FormulaC11H13BrF3NOS
Molecular Weight344.20 g/mol
Exact Mass342.99
IUPAC Name1-(5-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCCN(CC(=O)c1ccc(Br)s1)CC(F)(F)F
InChIInChI=1S/C11H13BrF3NOS/c1-2-5-16(7-11(13,14)15)6-8(17)9-3-4-10(12)18-9/h3-4H,2,5-7H2,1H3
InChIKeyTVGCSUAECAWVKX-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 1-(5-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone (CID 55010605) is 1-(5-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone is CCCN(CC(=O)c1ccc(Br)s1)CC(F)(F)F.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is TVGCSUAECAWVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NOS/c1-2-5-16(7-11(13,14)15)6-8(17)9-3-4-10(12)18-9/h3-4H,2,5-7H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(5-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 344.20 g/mol, XLogP of 3.97, 6 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-[propyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 55010605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).