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

C7H10F3N3O — CID 79952845

IUPAC2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)3-1-5-12-6(2-4-11)14-13-5/h1-4,11H2
InChIKeyDWVZXXXPMLVHQF-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.07
Rot. Bonds4

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

2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 79952845) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID79952845
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(CCC(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O/c8-7(9,10)3-1-5-12-6(2-4-11)14-13-5/h1-4,11H2
InChIKeyDWVZXXXPMLVHQF-UHFFFAOYSA-N
XLogP1.07
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 79952845) is 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine is NCCc1nc(CCC(F)(F)F)no1.
What is the InChIKey of 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is DWVZXXXPMLVHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c8-7(9,10)3-1-5-12-6(2-4-11)14-13-5/h1-4,11H2.
What are the key properties of 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 209.17 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 79952845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).