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

C6H8F3N3O — CID 61333330

IUPAC2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(CC(F)(F)F)n1
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)3-5-11-4(1-2-10)12-13-5/h1-3,10H2
InChIKeyCQYNNUVBEZFXPG-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.68
Rot. Bonds3

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

2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 61333330) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID61333330
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(CC(F)(F)F)n1
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)3-5-11-4(1-2-10)12-13-5/h1-3,10H2
InChIKeyCQYNNUVBEZFXPG-UHFFFAOYSA-N
XLogP0.68
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 61333330) is 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine is NCCc1noc(CC(F)(F)F)n1.
What is the InChIKey of 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is CQYNNUVBEZFXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c7-6(8,9)3-5-11-4(1-2-10)12-13-5/h1-3,10H2.
What are the key properties of 2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 195.14 g/mol, XLogP of 0.68, 3 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]ethanamine is sourced from PubChem (CID 61333330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).