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

C8H10F3N3O2 — CID 82007973

IUPAC2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESFC(F)(F)c1noc(CC2CNCCO2)n1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)7-13-6(16-14-7)3-5-4-12-1-2-15-5/h5,12H,1-4H2
InChIKeyMPYNOHOJBDQADB-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.62
Rot. Bonds2

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

2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 82007973) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID82007973
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESFC(F)(F)c1noc(CC2CNCCO2)n1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)7-13-6(16-14-7)3-5-4-12-1-2-15-5/h5,12H,1-4H2
InChIKeyMPYNOHOJBDQADB-UHFFFAOYSA-N
XLogP0.62
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 82007973) is 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is FC(F)(F)c1noc(CC2CNCCO2)n1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is MPYNOHOJBDQADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)7-13-6(16-14-7)3-5-4-12-1-2-15-5/h5,12H,1-4H2.
What are the key properties of 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 237.18 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 82007973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).