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

C8H12F3N3O2 — CID 106399593

IUPAC2-(1,2,4-oxadiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCc1ncno1
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)5-15-4-3-12-2-1-7-13-6-14-16-7/h6,12H,1-5H2
InChIKeyWEYPMFKYZPPUET-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.78
Rot. Bonds7

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

2-(1,2,4-oxadiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 106399593) has the molecular formula C8H12F3N3O2 and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID106399593
Molecular FormulaC8H12F3N3O2
Molecular Weight239.20 g/mol
Exact Mass239.09
IUPAC Name2-(1,2,4-oxadiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESFC(F)(F)COCCNCCc1ncno1
InChIInChI=1S/C8H12F3N3O2/c9-8(10,11)5-15-4-3-12-2-1-7-13-6-14-16-7/h6,12H,1-5H2
InChIKeyWEYPMFKYZPPUET-UHFFFAOYSA-N
XLogP0.78
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.78
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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Related Compounds

2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 103146254
N-ethyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103472539
N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103472702
2-[3-(2,2,3,3-Tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103472894
N-ethyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103472978
N-methyl-2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103473082
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 103744177
2,2,2-trifluoroethyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 103744185
2-[3-(2,2,2-Trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104880614
1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106394517

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 2-(1,2,4-oxadiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 106399593) is 2-(1,2,4-oxadiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(1,2,4-oxadiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 2-(1,2,4-oxadiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is FC(F)(F)COCCNCCc1ncno1.
What is the InChIKey of 2-(1,2,4-oxadiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is WEYPMFKYZPPUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2/c9-8(10,11)5-15-4-3-12-2-1-7-13-6-14-16-7/h6,12H,1-5H2.
What are the key properties of 2-(1,2,4-oxadiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
2-(1,2,4-oxadiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 239.20 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 106399593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).