2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C9H12F3N3O2 — CID 79258109

IUPAC2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1nc(C2CCCO2)no1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)5-13-4-7-14-8(15-17-7)6-2-1-3-16-6/h6,13H,1-5H2
InChIKeyXFTQENUPGDZOKY-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.57
Rot. Bonds4

About 2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 79258109) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID79258109
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1nc(C2CCCO2)no1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)5-13-4-7-14-8(15-17-7)6-2-1-3-16-6/h6,13H,1-5H2
InChIKeyXFTQENUPGDZOKY-UHFFFAOYSA-N
XLogP1.57
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 79258109) is 2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is FC(F)(F)CNCc1nc(C2CCCO2)no1.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is XFTQENUPGDZOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c10-9(11,12)5-13-4-7-14-8(15-17-7)6-2-1-3-16-6/h6,13H,1-5H2.
What are the key properties of 2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 251.21 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79258109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).