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

C7H8F3N3O2 — CID 82008212

IUPAC3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESFC(F)(F)c1noc(C2COCCN2)n1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)6-12-5(15-13-6)4-3-14-2-1-11-4/h4,11H,1-3H2
InChIKeyQKMPEBLCAHVSPD-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.75
Rot. Bonds1

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

3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 82008212) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID82008212
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESFC(F)(F)c1noc(C2COCCN2)n1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)6-12-5(15-13-6)4-3-14-2-1-11-4/h4,11H,1-3H2
InChIKeyQKMPEBLCAHVSPD-UHFFFAOYSA-N
XLogP0.75
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]morpholine (CID 82008212) is 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]morpholine is FC(F)(F)c1noc(C2COCCN2)n1.
What is the InChIKey of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is QKMPEBLCAHVSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)6-12-5(15-13-6)4-3-14-2-1-11-4/h4,11H,1-3H2.
What are the key properties of 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]morpholine?
3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 223.15 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 82008212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).