2-(furan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine

C13H11F6N3O3 — CID 1275903

IUPAC2-(furan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(c2ccco2)OC(N2CCOCC2)=N1
InChIInChI=1S/C13H11F6N3O3/c14-12(15,16)11(13(17,18)19)20-9(8-2-1-5-24-8)25-10(21-11)22-3-6-23-7-4-22/h1-2,5H,3-4,6-7H2
InChIKeyXGLZNMBMTPGIBQ-UHFFFAOYSA-N
MW371.24 g/mol
LogP2.57
Rot. Bonds1

About 2-(furan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine

2-(furan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine (PubChem CID 1275903) has the molecular formula C13H11F6N3O3 and a molecular weight of 371.24 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine.

Molecular Properties

Compound Name2-(furan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
PubChem CID1275903
Molecular FormulaC13H11F6N3O3
Molecular Weight371.24 g/mol
Exact Mass371.07
IUPAC Name2-(furan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(c2ccco2)OC(N2CCOCC2)=N1
InChIInChI=1S/C13H11F6N3O3/c14-12(15,16)11(13(17,18)19)20-9(8-2-1-5-24-8)25-10(21-11)22-3-6-23-7-4-22/h1-2,5H,3-4,6-7H2
InChIKeyXGLZNMBMTPGIBQ-UHFFFAOYSA-N
XLogP2.57
TPSA59.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The IUPAC name of 2-(furan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine (CID 1275903) is 2-(furan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine.
What is the SMILES notation for 2-(furan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The canonical SMILES for 2-(furan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine is FC(F)(F)C1(C(F)(F)F)N=C(c2ccco2)OC(N2CCOCC2)=N1.
What is the InChIKey of 2-(furan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The InChIKey is XGLZNMBMTPGIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F6N3O3/c14-12(15,16)11(13(17,18)19)20-9(8-2-1-5-24-8)25-10(21-11)22-3-6-23-7-4-22/h1-2,5H,3-4,6-7H2.
What are the key properties of 2-(furan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
2-(furan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine has a molecular weight of 371.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine is sourced from PubChem (CID 1275903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).