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

C7H10F3N3O — CID 61326651

IUPAC1-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(CC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O/c1-2-4(11)6-12-5(14-13-6)3-7(8,9)10/h4H,2-3,11H2,1H3
InChIKeyZCRYDVVTKJRLMG-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.58
Rot. Bonds3

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

1-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 61326651) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 1-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID61326651
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name1-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(CC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O/c1-2-4(11)6-12-5(14-13-6)3-7(8,9)10/h4H,2-3,11H2,1H3
InChIKeyZCRYDVVTKJRLMG-UHFFFAOYSA-N
XLogP1.58
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 1-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 61326651) is 1-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 1-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CCC(N)c1noc(CC(F)(F)F)n1.
What is the InChIKey of 1-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is ZCRYDVVTKJRLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-2-4(11)6-12-5(14-13-6)3-7(8,9)10/h4H,2-3,11H2,1H3.
What are the key properties of 1-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
1-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 209.17 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 61326651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).