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

C8H12F3N3O — CID 68753794

IUPAC2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(CC(F)(F)F)c1nc(CCN)no1
InChIInChI=1S/C8H12F3N3O/c1-5(4-8(9,10)11)7-13-6(2-3-12)14-15-7/h5H,2-4,12H2,1H3
InChIKeyYBEYJUGOQFKGAJ-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.63
Rot. Bonds4

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

2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 68753794) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID68753794
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(CC(F)(F)F)c1nc(CCN)no1
InChIInChI=1S/C8H12F3N3O/c1-5(4-8(9,10)11)7-13-6(2-3-12)14-15-7/h5H,2-4,12H2,1H3
InChIKeyYBEYJUGOQFKGAJ-UHFFFAOYSA-N
XLogP1.63
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 68753794) is 2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine is CC(CC(F)(F)F)c1nc(CCN)no1.
What is the InChIKey of 2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is YBEYJUGOQFKGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-5(4-8(9,10)11)7-13-6(2-3-12)14-15-7/h5H,2-4,12H2,1H3.
What are the key properties of 2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 223.20 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,4,4-trifluorobutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 68753794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).