(4-ethyl-3-oxomorpholin-2-yl) 2,2,2-trifluoroacetate

C8H10F3NO4 — CID 161434618

IUPAC(4-ethyl-3-oxomorpholin-2-yl) 2,2,2-trifluoroacetate
SMILESCCN1CCOC(OC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C8H10F3NO4/c1-2-12-3-4-15-6(5(12)13)16-7(14)8(9,10)11/h6H,2-4H2,1H3
InChIKeyVYMCCYTZLLZVHC-UHFFFAOYSA-N
MW241.16 g/mol
LogP0.30
Rot. Bonds2

About (4-ethyl-3-oxomorpholin-2-yl) 2,2,2-trifluoroacetate

(4-ethyl-3-oxomorpholin-2-yl) 2,2,2-trifluoroacetate (PubChem CID 161434618) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is (4-ethyl-3-oxomorpholin-2-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(4-ethyl-3-oxomorpholin-2-yl) 2,2,2-trifluoroacetate
PubChem CID161434618
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name(4-ethyl-3-oxomorpholin-2-yl) 2,2,2-trifluoroacetate
SMILESCCN1CCOC(OC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C8H10F3NO4/c1-2-12-3-4-15-6(5(12)13)16-7(14)8(9,10)11/h6H,2-4H2,1H3
InChIKeyVYMCCYTZLLZVHC-UHFFFAOYSA-N
XLogP0.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-oxomorpholin-2-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (4-ethyl-3-oxomorpholin-2-yl) 2,2,2-trifluoroacetate (CID 161434618) is (4-ethyl-3-oxomorpholin-2-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (4-ethyl-3-oxomorpholin-2-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (4-ethyl-3-oxomorpholin-2-yl) 2,2,2-trifluoroacetate is CCN1CCOC(OC(=O)C(F)(F)F)C1=O.
What is the InChIKey of (4-ethyl-3-oxomorpholin-2-yl) 2,2,2-trifluoroacetate?
The InChIKey is VYMCCYTZLLZVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c1-2-12-3-4-15-6(5(12)13)16-7(14)8(9,10)11/h6H,2-4H2,1H3.
What are the key properties of (4-ethyl-3-oxomorpholin-2-yl) 2,2,2-trifluoroacetate?
(4-ethyl-3-oxomorpholin-2-yl) 2,2,2-trifluoroacetate has a molecular weight of 241.16 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-oxomorpholin-2-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 161434618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).