2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

C5H6F3N3O — CID 106398723

IUPAC2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1ncon1
InChIInChI=1S/C5H6F3N3O/c6-5(7,8)2-9-1-4-10-3-12-11-4/h3,9H,1-2H2
InChIKeyNJPAJKJVYZLZDG-UHFFFAOYSA-N
MW181.12 g/mol
LogP0.72
Rot. Bonds3

About 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine

2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (PubChem CID 106398723) has the molecular formula C5H6F3N3O and a molecular weight of 181.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
PubChem CID106398723
Molecular FormulaC5H6F3N3O
Molecular Weight181.12 g/mol
Exact Mass181.05
IUPAC Name2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1ncon1
InChIInChI=1S/C5H6F3N3O/c6-5(7,8)2-9-1-4-10-3-12-11-4/h3,9H,1-2H2
InChIKeyNJPAJKJVYZLZDG-UHFFFAOYSA-N
XLogP0.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine (CID 106398723) is 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is FC(F)(F)CNCc1ncon1.
What is the InChIKey of 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
The InChIKey is NJPAJKJVYZLZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O/c6-5(7,8)2-9-1-4-10-3-12-11-4/h3,9H,1-2H2.
What are the key properties of 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine has a molecular weight of 181.12 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 106398723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).