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

C9H12F3N3O2 — CID 66433061

IUPAC2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESFC(F)(F)Cc1noc(CC2CNCCO2)n1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)4-7-14-8(17-15-7)3-6-5-13-1-2-16-6/h6,13H,1-5H2
InChIKeyOTPKVGHMIQWNHE-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.71
Rot. Bonds3

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

2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 66433061) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID66433061
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESFC(F)(F)Cc1noc(CC2CNCCO2)n1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)4-7-14-8(17-15-7)3-6-5-13-1-2-16-6/h6,13H,1-5H2
InChIKeyOTPKVGHMIQWNHE-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 66433061) is 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is FC(F)(F)Cc1noc(CC2CNCCO2)n1.
What is the InChIKey of 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is OTPKVGHMIQWNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c10-9(11,12)4-7-14-8(17-15-7)3-6-5-13-1-2-16-6/h6,13H,1-5H2.
What are the key properties of 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 251.21 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 66433061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).