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

C8H12F3N3O2 — CID 103212004

IUPACN-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(COCC(F)(F)F)o1
InChIInChI=1S/C8H12F3N3O2/c1-5(12-2)7-14-13-6(16-7)3-15-4-8(9,10)11/h5,12H,3-4H2,1-2H3
InChIKeyNDJRDOFLDQAZLZ-UHFFFAOYSA-N
MW239.20 g/mol
LogP1.43
Rot. Bonds5

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

N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 103212004) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID103212004
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC NameN-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(COCC(F)(F)F)o1
InChIInChI=1S/C8H12F3N3O2/c1-5(12-2)7-14-13-6(16-7)3-15-4-8(9,10)11/h5,12H,3-4H2,1-2H3
InChIKeyNDJRDOFLDQAZLZ-UHFFFAOYSA-N
XLogP1.43
TPSA60.18 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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 103212004) is N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine is CNC(C)c1nnc(COCC(F)(F)F)o1.
What is the InChIKey of N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is NDJRDOFLDQAZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c1-5(12-2)7-14-13-6(16-7)3-15-4-8(9,10)11/h5,12H,3-4H2,1-2H3.
What are the key properties of N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 239.20 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 103212004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).