2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C7H10F3N3O — CID 61325887

IUPAC2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(CC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O/c1-6(2,11)5-12-4(14-13-5)3-7(8,9)10/h3,11H2,1-2H3
InChIKeyBIQINHRKLALUFM-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.37
Rot. Bonds2

About 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 61325887) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID61325887
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(CC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O/c1-6(2,11)5-12-4(14-13-5)3-7(8,9)10/h3,11H2,1-2H3
InChIKeyBIQINHRKLALUFM-UHFFFAOYSA-N
XLogP1.37
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine 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-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 61325887) is 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(C)(N)c1noc(CC(F)(F)F)n1.
What is the InChIKey of 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is BIQINHRKLALUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-6(2,11)5-12-4(14-13-5)3-7(8,9)10/h3,11H2,1-2H3.
What are the key properties of 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 209.17 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 61325887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).