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

C13H16F3NOS — CID 55010169

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C13H16F3NOS/c1-2-10-5-6-12(19-10)11(18)7-17(9-3-4-9)8-13(14,15)16/h5-6,9H,2-4,7-8H2,1H3
InChIKeyDWBOVBYGJACPQG-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.52
Rot. Bonds6

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

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 55010169) has the molecular formula C13H16F3NOS and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID55010169
Molecular FormulaC13H16F3NOS
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C13H16F3NOS/c1-2-10-5-6-12(19-10)11(18)7-17(9-3-4-9)8-13(14,15)16/h5-6,9H,2-4,7-8H2,1H3
InChIKeyDWBOVBYGJACPQG-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-ethylthiophen-2-yl)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 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone (CID 55010169) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)CN(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is DWBOVBYGJACPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NOS/c1-2-10-5-6-12(19-10)11(18)7-17(9-3-4-9)8-13(14,15)16/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 291.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 55010169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).