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

C8H11F4N3O2 — CID 103472894

IUPAC2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C8H11F4N3O2/c9-7(10)8(11,12)4-16-3-5-14-6(1-2-13)17-15-5/h7H,1-4,13H2
InChIKeyCFJVBLBPROSRLM-UHFFFAOYSA-N
MW257.19 g/mol
LogP0.99
Rot. Bonds7

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

2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 103472894) has the molecular formula C8H11F4N3O2 and a molecular weight of 257.19 g/mol. Its IUPAC name is 2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID103472894
Molecular FormulaC8H11F4N3O2
Molecular Weight257.19 g/mol
Exact Mass257.08
IUPAC Name2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C8H11F4N3O2/c9-7(10)8(11,12)4-16-3-5-14-6(1-2-13)17-15-5/h7H,1-4,13H2
InChIKeyCFJVBLBPROSRLM-UHFFFAOYSA-N
XLogP0.99
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 103472894) is 2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine is NCCc1nc(COCC(F)(F)C(F)F)no1.
What is the InChIKey of 2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is CFJVBLBPROSRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4N3O2/c9-7(10)8(11,12)4-16-3-5-14-6(1-2-13)17-15-5/h7H,1-4,13H2.
What are the key properties of 2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 257.19 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 103472894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).