2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine

C8H12F3N3O2 — CID 79953398

IUPAC2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
SMILESNCCOCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)2-1-6-13-7(16-14-6)5-15-4-3-12/h1-5,12H2
InChIKeyFGNYIGGOZYZGEL-UHFFFAOYSA-N
MW239.20 g/mol
LogP1.04
Rot. Bonds6

About 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine

2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine (PubChem CID 79953398) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine.

Molecular Properties

Compound Name2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
PubChem CID79953398
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
SMILESNCCOCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)2-1-6-13-7(16-14-6)5-15-4-3-12/h1-5,12H2
InChIKeyFGNYIGGOZYZGEL-UHFFFAOYSA-N
XLogP1.04
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine?
The IUPAC name of 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine (CID 79953398) is 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine.
What is the SMILES notation for 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine?
The canonical SMILES for 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine is NCCOCc1nc(CCC(F)(F)F)no1.
What is the InChIKey of 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine?
The InChIKey is FGNYIGGOZYZGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c9-8(10,11)2-1-6-13-7(16-14-6)5-15-4-3-12/h1-5,12H2.
What are the key properties of 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine?
2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine has a molecular weight of 239.20 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine is sourced from PubChem (CID 79953398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).