N-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C11H16F3NOS — CID 55095675

IUPACN-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCNC(CCOCC(F)(F)F)c1cccs1
InChIInChI=1S/C11H16F3NOS/c1-2-15-9(10-4-3-7-17-10)5-6-16-8-11(12,13)14/h3-4,7,9,15H,2,5-6,8H2,1H3
InChIKeyFNBZDJKASAOGEI-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.37
Rot. Bonds7

About N-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 55095675) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is N-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID55095675
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC NameN-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCNC(CCOCC(F)(F)F)c1cccs1
InChIInChI=1S/C11H16F3NOS/c1-2-15-9(10-4-3-7-17-10)5-6-16-8-11(12,13)14/h3-4,7,9,15H,2,5-6,8H2,1H3
InChIKeyFNBZDJKASAOGEI-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine 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 N-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 55095675) is N-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCNC(CCOCC(F)(F)F)c1cccs1.
What is the InChIKey of N-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is FNBZDJKASAOGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c1-2-15-9(10-4-3-7-17-10)5-6-16-8-11(12,13)14/h3-4,7,9,15H,2,5-6,8H2,1H3.
What are the key properties of N-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 267.32 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-thiophen-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 55095675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).