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

C15H13F6N3O2 — CID 575065

IUPAC2-morpholin-4-yl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)OC(N2CCOCC2)=N1
InChIInChI=1S/C15H13F6N3O2/c16-14(17,18)13(15(19,20)21)22-11(10-4-2-1-3-5-10)26-12(23-13)24-6-8-25-9-7-24/h1-5H,6-9H2
InChIKeyBUTCTGFFNHTJNL-UHFFFAOYSA-N
MW381.28 g/mol
LogP2.97
Rot. Bonds1

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

2-morpholin-4-yl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine (PubChem CID 575065) has the molecular formula C15H13F6N3O2 and a molecular weight of 381.28 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine.

Molecular Properties

Compound Name2-morpholin-4-yl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
PubChem CID575065
Molecular FormulaC15H13F6N3O2
Molecular Weight381.28 g/mol
Exact Mass381.09
IUPAC Name2-morpholin-4-yl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)OC(N2CCOCC2)=N1
InChIInChI=1S/C15H13F6N3O2/c16-14(17,18)13(15(19,20)21)22-11(10-4-2-1-3-5-10)26-12(23-13)24-6-8-25-9-7-24/h1-5H,6-9H2
InChIKeyBUTCTGFFNHTJNL-UHFFFAOYSA-N
XLogP2.97
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The IUPAC name of 2-morpholin-4-yl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine (CID 575065) is 2-morpholin-4-yl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine.
What is the SMILES notation for 2-morpholin-4-yl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The canonical SMILES for 2-morpholin-4-yl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine is FC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)OC(N2CCOCC2)=N1.
What is the InChIKey of 2-morpholin-4-yl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
The InChIKey is BUTCTGFFNHTJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F6N3O2/c16-14(17,18)13(15(19,20)21)22-11(10-4-2-1-3-5-10)26-12(23-13)24-6-8-25-9-7-24/h1-5H,6-9H2.
What are the key properties of 2-morpholin-4-yl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine?
2-morpholin-4-yl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine has a molecular weight of 381.28 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine is sourced from PubChem (CID 575065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).