2,2,2-trifluoro-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C7H10F3N3O2 — CID 79257772

IUPAC2,2,2-trifluoro-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCOCc1noc(CNCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O2/c1-14-3-5-12-6(15-13-5)2-11-4-7(8,9)10/h11H,2-4H2,1H3
InChIKeyLUVWRKKJKVHSNF-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.87
Rot. Bonds5

About 2,2,2-trifluoro-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 79257772) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID79257772
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC Name2,2,2-trifluoro-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCOCc1noc(CNCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O2/c1-14-3-5-12-6(15-13-5)2-11-4-7(8,9)10/h11H,2-4H2,1H3
InChIKeyLUVWRKKJKVHSNF-UHFFFAOYSA-N
XLogP0.87
TPSA60.18 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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]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-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 79257772) is 2,2,2-trifluoro-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is COCc1noc(CNCC(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is LUVWRKKJKVHSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2/c1-14-3-5-12-6(15-13-5)2-11-4-7(8,9)10/h11H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 225.17 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79257772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).