2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine

C7H9F3N2OS — CID 106925764

IUPAC2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine
SMILESFC(F)(F)CNCCSc1ncco1
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)5-11-2-4-14-6-12-1-3-13-6/h1,3,11H,2,4-5H2
InChIKeyLMBGYSZVEMGOHY-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.92
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine (PubChem CID 106925764) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine
PubChem CID106925764
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine
SMILESFC(F)(F)CNCCSc1ncco1
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)5-11-2-4-14-6-12-1-3-13-6/h1,3,11H,2,4-5H2
InChIKeyLMBGYSZVEMGOHY-UHFFFAOYSA-N
XLogP1.92
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine 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 2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine (CID 106925764) is 2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine is FC(F)(F)CNCCSc1ncco1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine?
The InChIKey is LMBGYSZVEMGOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c8-7(9,10)5-11-2-4-14-6-12-1-3-13-6/h1,3,11H,2,4-5H2.
What are the key properties of 2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine has a molecular weight of 226.22 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 106925764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).