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

C8H12F3N3O2 — CID 81086231

IUPAC2-methoxy-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOCC(N)c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O2/c1-15-4-5(12)7-13-6(14-16-7)2-3-8(9,10)11/h5H,2-4,12H2,1H3
InChIKeyUAJPBGGGONEMPQ-UHFFFAOYSA-N
MW239.20 g/mol
LogP1.21
Rot. Bonds5

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

2-methoxy-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 81086231) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-methoxy-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-methoxy-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID81086231
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name2-methoxy-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCOCC(N)c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C8H12F3N3O2/c1-15-4-5(12)7-13-6(14-16-7)2-3-8(9,10)11/h5H,2-4,12H2,1H3
InChIKeyUAJPBGGGONEMPQ-UHFFFAOYSA-N
XLogP1.21
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-methoxy-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 81086231) is 2-methoxy-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-methoxy-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-methoxy-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine is COCC(N)c1nc(CCC(F)(F)F)no1.
What is the InChIKey of 2-methoxy-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is UAJPBGGGONEMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-15-4-5(12)7-13-6(14-16-7)2-3-8(9,10)11/h5H,2-4,12H2,1H3.
What are the key properties of 2-methoxy-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-methoxy-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 239.20 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 81086231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).