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

C7H10F3N3O2 — CID 104880614

IUPAC2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)4-14-3-5-12-6(1-2-11)15-13-5/h1-4,11H2
InChIKeyWXPXVWQPUHYLBA-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.65
Rot. Bonds5

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

2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 104880614) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID104880614
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC Name2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(COCC(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)4-14-3-5-12-6(1-2-11)15-13-5/h1-4,11H2
InChIKeyWXPXVWQPUHYLBA-UHFFFAOYSA-N
XLogP0.65
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 104880614) is 2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine is NCCc1nc(COCC(F)(F)F)no1.
What is the InChIKey of 2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is WXPXVWQPUHYLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2/c8-7(9,10)4-14-3-5-12-6(1-2-11)15-13-5/h1-4,11H2.
What are the key properties of 2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 225.17 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 104880614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).