N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine

C7H10F3N3O — CID 82008570

IUPACN-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNC(C)c1nc(C(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O/c1-3-11-4(2)5-12-6(13-14-5)7(8,9)10/h4,11H,3H2,1-2H3
InChIKeyMYLUOCXLGXJCJS-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.76
Rot. Bonds3

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

N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 82008570) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID82008570
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC NameN-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNC(C)c1nc(C(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O/c1-3-11-4(2)5-12-6(13-14-5)7(8,9)10/h4,11H,3H2,1-2H3
InChIKeyMYLUOCXLGXJCJS-UHFFFAOYSA-N
XLogP1.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 82008570) is N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine is CCNC(C)c1nc(C(F)(F)F)no1.
What is the InChIKey of N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is MYLUOCXLGXJCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-3-11-4(2)5-12-6(13-14-5)7(8,9)10/h4,11H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 209.17 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 82008570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).