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

C6H8F3N3O2 — CID 82008295

IUPAC2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
SMILESNCCOCc1nc(C(F)(F)F)no1
InChIInChI=1S/C6H8F3N3O2/c7-6(8,9)5-11-4(14-12-5)3-13-2-1-10/h1-3,10H2
InChIKeyHDJJFCPYRPWIRO-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.56
Rot. Bonds4

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

2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine (PubChem CID 82008295) has the molecular formula C6H8F3N3O2 and a molecular weight of 211.14 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
PubChem CID82008295
Molecular FormulaC6H8F3N3O2
Molecular Weight211.14 g/mol
Exact Mass211.06
IUPAC Name2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
SMILESNCCOCc1nc(C(F)(F)F)no1
InChIInChI=1S/C6H8F3N3O2/c7-6(8,9)5-11-4(14-12-5)3-13-2-1-10/h1-3,10H2
InChIKeyHDJJFCPYRPWIRO-UHFFFAOYSA-N
XLogP0.56
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine?
The IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine (CID 82008295) is 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine?
The canonical SMILES for 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine is NCCOCc1nc(C(F)(F)F)no1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine?
The InChIKey is HDJJFCPYRPWIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2/c7-6(8,9)5-11-4(14-12-5)3-13-2-1-10/h1-3,10H2.
What are the key properties of 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine?
2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine has a molecular weight of 211.14 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine is sourced from PubChem (CID 82008295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).