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

C12H16F3NOS — CID 55010497

IUPAC1-(5-ethylthiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCc1ccc(C(=O)CN(CC)CC(F)(F)F)s1
InChIInChI=1S/C12H16F3NOS/c1-3-9-5-6-11(18-9)10(17)7-16(4-2)8-12(13,14)15/h5-6H,3-4,7-8H2,1-2H3
InChIKeyWEVJUSAMUKDZDS-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.38
Rot. Bonds6

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

1-(5-ethylthiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 55010497) has the molecular formula C12H16F3NOS and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID55010497
Molecular FormulaC12H16F3NOS
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name1-(5-ethylthiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCCc1ccc(C(=O)CN(CC)CC(F)(F)F)s1
InChIInChI=1S/C12H16F3NOS/c1-3-9-5-6-11(18-9)10(17)7-16(4-2)8-12(13,14)15/h5-6H,3-4,7-8H2,1-2H3
InChIKeyWEVJUSAMUKDZDS-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-ethylthiophen-2-yl)-2-[ethyl(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-ethylthiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone (CID 55010497) is 1-(5-ethylthiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone is CCc1ccc(C(=O)CN(CC)CC(F)(F)F)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is WEVJUSAMUKDZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NOS/c1-3-9-5-6-11(18-9)10(17)7-16(4-2)8-12(13,14)15/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(5-ethylthiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 279.33 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 55010497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).