2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one

C14H16F3NO5 — CID 138024141

IUPAC2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one
SMILESCc1occc(=O)c1OCC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C
InChIInChI=1S/C14H16F3NO5/c1-8-13(14(15,16)17)22-6-4-18(8)11(20)7-23-12-9(2)21-5-3-10(12)19/h3,5,8,13H,4,6-7H2,1-2H3/t8-,13-/m1/s1
InChIKeyHRBZLMCQTPOYNY-AMIZOPFISA-N
MW335.28 g/mol
LogP1.51
Rot. Bonds3

About 2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one

2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one (PubChem CID 138024141) has the molecular formula C14H16F3NO5 and a molecular weight of 335.28 g/mol. Its IUPAC name is 2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one.

Molecular Properties

Compound Name2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one
PubChem CID138024141
Molecular FormulaC14H16F3NO5
Molecular Weight335.28 g/mol
Exact Mass335.10
IUPAC Name2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one
SMILESCc1occc(=O)c1OCC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C
InChIInChI=1S/C14H16F3NO5/c1-8-13(14(15,16)17)22-6-4-18(8)11(20)7-23-12-9(2)21-5-3-10(12)19/h3,5,8,13H,4,6-7H2,1-2H3/t8-,13-/m1/s1
InChIKeyHRBZLMCQTPOYNY-AMIZOPFISA-N
XLogP1.51
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 51.51
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-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one?
The IUPAC name of 2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one (CID 138024141) is 2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one.
What is the SMILES notation for 2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one?
The canonical SMILES for 2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one is Cc1occc(=O)c1OCC(=O)N1CCO[C@@H](C(F)(F)F)[C@H]1C.
What is the InChIKey of 2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one?
The InChIKey is HRBZLMCQTPOYNY-AMIZOPFISA-N. The full InChI is InChI=1S/C14H16F3NO5/c1-8-13(14(15,16)17)22-6-4-18(8)11(20)7-23-12-9(2)21-5-3-10(12)19/h3,5,8,13H,4,6-7H2,1-2H3/t8-,13-/m1/s1.
What are the key properties of 2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one?
2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one has a molecular weight of 335.28 g/mol, XLogP of 1.51, 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-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one is sourced from PubChem (CID 138024141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).