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

C7H10F3N3O — CID 82007972

IUPACN-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNCCc1nc(C(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O/c1-2-11-4-3-5-12-6(13-14-5)7(8,9)10/h11H,2-4H2,1H3
InChIKeyMCTNTAPCQIHGCZ-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.24
Rot. Bonds4

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

N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 82007972) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID82007972
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC NameN-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNCCc1nc(C(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O/c1-2-11-4-3-5-12-6(13-14-5)7(8,9)10/h11H,2-4H2,1H3
InChIKeyMCTNTAPCQIHGCZ-UHFFFAOYSA-N
XLogP1.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 82007972) is N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine is CCNCCc1nc(C(F)(F)F)no1.
What is the InChIKey of N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is MCTNTAPCQIHGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-2-11-4-3-5-12-6(13-14-5)7(8,9)10/h11H,2-4H2,1H3.
What are the key properties of N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 209.17 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 82007972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).