1-(3-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone

C11H13BrF3NOS — CID 55010171

IUPAC1-(3-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCCN(CC(=O)c1sccc1Br)CC(F)(F)F
InChIInChI=1S/C11H13BrF3NOS/c1-2-4-16(7-11(13,14)15)6-9(17)10-8(12)3-5-18-10/h3,5H,2,4,6-7H2,1H3
InChIKeyVFRIISILSGBOLH-UHFFFAOYSA-N
MW344.20 g/mol
LogP3.97
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone

1-(3-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 55010171) has the molecular formula C11H13BrF3NOS and a molecular weight of 344.20 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID55010171
Molecular FormulaC11H13BrF3NOS
Molecular Weight344.20 g/mol
Exact Mass342.99
IUPAC Name1-(3-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCCN(CC(=O)c1sccc1Br)CC(F)(F)F
InChIInChI=1S/C11H13BrF3NOS/c1-2-4-16(7-11(13,14)15)6-9(17)10-8(12)3-5-18-10/h3,5H,2,4,6-7H2,1H3
InChIKeyVFRIISILSGBOLH-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-(3-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

Related Compounds

1-(3-Bromo-2-thienyl)-3-(dimethylamino)-2-propen-1-one
CID 5706822
2-(Dimethylamino)-1-thiophen-2-ylethanone
CID 14650096
2-(Diallylamino)-1-(5-fluoro-2-thienyl)ethanone
CID 86697889
1-(4-Bromothiophen-2-yl)-2-(pyrrolidin-1-yl)pentan-1-one
CID 129844614
1-(4-Bromothiophen-2-yl)-2-(pyrrolidin-1-yl)butan-1-one
CID 129844618
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone
CID 55010317
1-(5-Bromothiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010366
4-[Ethyl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 55010403
1-(3-Bromothiophen-2-yl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010411
1-(5-Methylthiophen-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010414
1-(5-Bromothiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010450
1-(5-Ethylthiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010497

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone (CID 55010171) is 1-(3-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone is CCCN(CC(=O)c1sccc1Br)CC(F)(F)F.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is VFRIISILSGBOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NOS/c1-2-4-16(7-11(13,14)15)6-9(17)10-8(12)3-5-18-10/h3,5H,2,4,6-7H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(3-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-(3-bromothiophen-2-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 55010171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).