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

C5H6F3N3O — CID 82184346

IUPAC1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C5H6F3N3O/c1-2(9)3-10-11-4(12-3)5(6,7)8/h2H,9H2,1H3
InChIKeyLVHOUHBLHUTCGG-UHFFFAOYSA-N
MW181.12 g/mol
LogP1.11
Rot. Bonds1

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

1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 82184346) has the molecular formula C5H6F3N3O and a molecular weight of 181.12 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID82184346
Molecular FormulaC5H6F3N3O
Molecular Weight181.12 g/mol
Exact Mass181.05
IUPAC Name1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C5H6F3N3O/c1-2(9)3-10-11-4(12-3)5(6,7)8/h2H,9H2,1H3
InChIKeyLVHOUHBLHUTCGG-UHFFFAOYSA-N
XLogP1.11
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.12
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 82184346) is 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(N)c1nnc(C(F)(F)F)o1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is LVHOUHBLHUTCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O/c1-2(9)3-10-11-4(12-3)5(6,7)8/h2H,9H2,1H3.
What are the key properties of 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 181.12 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 82184346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).