2-methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one

C13H14F3NO5 — CID 138026249

IUPAC2-methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one
SMILESCc1occc(=O)c1OCC(=O)N1CCOCC1C(F)(F)F
InChIInChI=1S/C13H14F3NO5/c1-8-12(9(18)2-4-21-8)22-7-11(19)17-3-5-20-6-10(17)13(14,15)16/h2,4,10H,3,5-7H2,1H3
InChIKeyCVUZCBZJWUMWMU-UHFFFAOYSA-N
MW321.25 g/mol
LogP1.12
Rot. Bonds3

About 2-methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one

2-methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one (PubChem CID 138026249) has the molecular formula C13H14F3NO5 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one.

Molecular Properties

Compound Name2-methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one
PubChem CID138026249
Molecular FormulaC13H14F3NO5
Molecular Weight321.25 g/mol
Exact Mass321.08
IUPAC Name2-methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one
SMILESCc1occc(=O)c1OCC(=O)N1CCOCC1C(F)(F)F
InChIInChI=1S/C13H14F3NO5/c1-8-12(9(18)2-4-21-8)22-7-11(19)17-3-5-20-6-10(17)13(14,15)16/h2,4,10H,3,5-7H2,1H3
InChIKeyCVUZCBZJWUMWMU-UHFFFAOYSA-N
XLogP1.12
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one?
The IUPAC name of 2-methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one (CID 138026249) is 2-methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one.
What is the SMILES notation for 2-methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one?
The canonical SMILES for 2-methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one is Cc1occc(=O)c1OCC(=O)N1CCOCC1C(F)(F)F.
What is the InChIKey of 2-methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one?
The InChIKey is CVUZCBZJWUMWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO5/c1-8-12(9(18)2-4-21-8)22-7-11(19)17-3-5-20-6-10(17)13(14,15)16/h2,4,10H,3,5-7H2,1H3.
What are the key properties of 2-methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one?
2-methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one has a molecular weight of 321.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one is sourced from PubChem (CID 138026249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).