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

C9H12F3N3O2 — CID 79953546

IUPAC3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESFC(F)(F)CCc1noc(C2COCCN2)n1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)2-1-7-14-8(17-15-7)6-5-16-4-3-13-6/h6,13H,1-5H2
InChIKeyQCLFEVOLMZQQIO-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.23
Rot. Bonds3

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

3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 79953546) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID79953546
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESFC(F)(F)CCc1noc(C2COCCN2)n1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)2-1-7-14-8(17-15-7)6-5-16-4-3-13-6/h6,13H,1-5H2
InChIKeyQCLFEVOLMZQQIO-UHFFFAOYSA-N
XLogP1.23
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]morpholine (CID 79953546) is 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]morpholine is FC(F)(F)CCc1noc(C2COCCN2)n1.
What is the InChIKey of 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is QCLFEVOLMZQQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c10-9(11,12)2-1-7-14-8(17-15-7)6-5-16-4-3-13-6/h6,13H,1-5H2.
What are the key properties of 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]morpholine?
3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 251.21 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 79953546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).