2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol

C8H10F3NOS — CID 61046201

IUPAC2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)c1ccsc1
InChIInChI=1S/C8H10F3NOS/c9-8(10,11)5-12-7(3-13)6-1-2-14-4-6/h1-2,4,7,12-13H,3,5H2
InChIKeyDVSNKVCPDZEJJI-UHFFFAOYSA-N
MW225.23 g/mol
LogP1.93
Rot. Bonds4

About 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol

2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 61046201) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID61046201
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)c1ccsc1
InChIInChI=1S/C8H10F3NOS/c9-8(10,11)5-12-7(3-13)6-1-2-14-4-6/h1-2,4,7,12-13H,3,5H2
InChIKeyDVSNKVCPDZEJJI-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol 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-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol (CID 61046201) is 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol is OCC(NCC(F)(F)F)c1ccsc1.
What is the InChIKey of 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is DVSNKVCPDZEJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c9-8(10,11)5-12-7(3-13)6-1-2-14-4-6/h1-2,4,7,12-13H,3,5H2.
What are the key properties of 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol?
2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 225.23 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 61046201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).