5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine

C6H8F3N3O2 — CID 103211787

IUPAC5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine
SMILESNc1noc(CCOCC(F)(F)F)n1
InChIInChI=1S/C6H8F3N3O2/c7-6(8,9)3-13-2-1-4-11-5(10)12-14-4/h1-3H2,(H2,10,12)
InChIKeyXKTUQFUUDGXSQG-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.77
Rot. Bonds4

About 5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine

5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine (PubChem CID 103211787) has the molecular formula C6H8F3N3O2 and a molecular weight of 211.14 g/mol. Its IUPAC name is 5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine
PubChem CID103211787
Molecular FormulaC6H8F3N3O2
Molecular Weight211.14 g/mol
Exact Mass211.06
IUPAC Name5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine
SMILESNc1noc(CCOCC(F)(F)F)n1
InChIInChI=1S/C6H8F3N3O2/c7-6(8,9)3-13-2-1-4-11-5(10)12-14-4/h1-3H2,(H2,10,12)
InChIKeyXKTUQFUUDGXSQG-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl [3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate
CID 14875820
5-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-3-amine
CID 63691891
[5-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 103211710
[5-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 103211711
2-[5-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 103211755
3-[5-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 103211766
5-[2-(2,2-Difluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine
CID 103211786
3-Bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103211790
3-Bromo-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103211791
3-Chloro-5-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103211794
3-Chloro-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103211795
5-[2-(2,2-Difluoroethoxy)ethyl]-3-iodo-1,2,4-oxadiazole
CID 103211798

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine (CID 103211787) is 5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine is Nc1noc(CCOCC(F)(F)F)n1.
What is the InChIKey of 5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is XKTUQFUUDGXSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2/c7-6(8,9)3-13-2-1-4-11-5(10)12-14-4/h1-3H2,(H2,10,12).
What are the key properties of 5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine?
5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 211.14 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 103211787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).