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

C8H10F3NO4 — CID 174550158

IUPAC2-(3-oxomorpholin-4-yl)ethyl 2,2,2-trifluoroacetate
SMILESO=C1COCCN1CCOC(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)7(14)16-4-2-12-1-3-15-5-6(12)13/h1-5H2
InChIKeyGBDYZEJBPHABQN-UHFFFAOYSA-N
MW241.16 g/mol
LogP-0.05
Rot. Bonds3

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

2-(3-oxomorpholin-4-yl)ethyl 2,2,2-trifluoroacetate (PubChem CID 174550158) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is 2-(3-oxomorpholin-4-yl)ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-(3-oxomorpholin-4-yl)ethyl 2,2,2-trifluoroacetate
PubChem CID174550158
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name2-(3-oxomorpholin-4-yl)ethyl 2,2,2-trifluoroacetate
SMILESO=C1COCCN1CCOC(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)7(14)16-4-2-12-1-3-15-5-6(12)13/h1-5H2
InChIKeyGBDYZEJBPHABQN-UHFFFAOYSA-N
XLogP-0.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxomorpholin-4-yl)ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-(3-oxomorpholin-4-yl)ethyl 2,2,2-trifluoroacetate (CID 174550158) is 2-(3-oxomorpholin-4-yl)ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-(3-oxomorpholin-4-yl)ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-(3-oxomorpholin-4-yl)ethyl 2,2,2-trifluoroacetate is O=C1COCCN1CCOC(=O)C(F)(F)F.
What is the InChIKey of 2-(3-oxomorpholin-4-yl)ethyl 2,2,2-trifluoroacetate?
The InChIKey is GBDYZEJBPHABQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c9-8(10,11)7(14)16-4-2-12-1-3-15-5-6(12)13/h1-5H2.
What are the key properties of 2-(3-oxomorpholin-4-yl)ethyl 2,2,2-trifluoroacetate?
2-(3-oxomorpholin-4-yl)ethyl 2,2,2-trifluoroacetate has a molecular weight of 241.16 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxomorpholin-4-yl)ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 174550158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).