(1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate

C8H10F3NO4 — CID 87464062

IUPAC(1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate
SMILESO=CC(OC(=O)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)7(14)16-6(5-13)12-1-3-15-4-2-12/h5-6H,1-4H2
InChIKeyGTVAECVPDCAJND-UHFFFAOYSA-N
MW241.16 g/mol
LogP-0.05
Rot. Bonds3

About (1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate

(1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate (PubChem CID 87464062) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is (1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate
PubChem CID87464062
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name(1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate
SMILESO=CC(OC(=O)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)7(14)16-6(5-13)12-1-3-15-4-2-12/h5-6H,1-4H2
InChIKeyGTVAECVPDCAJND-UHFFFAOYSA-N
XLogP-0.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
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 ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-2-morpholin-4-ylbutanal
CID 87837145
2-chloro-2-morpholin-4-ylacetaldehyde
CID 87774455
3-amino-2-morpholin-4-ylpropanal
CID 174706845
4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)morpholine
CID 15531441
fluoro 2-morpholin-4-ylpropanoate
CID 169191902
ethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate
CID 57320691
(E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one
CID 56965667
4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine
CID 90180655
2-hydroxy-2-morpholin-4-ylacetic acid
CID 12864793
(Z)-3-bromo-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one
CID 6064459
methyl 2-formyl-3-morpholin-4-ylbut-3-enoate
CID 134987414
2,2,2-trifluoro-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 62491437

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate?
The IUPAC name of (1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate (CID 87464062) is (1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate is O=CC(OC(=O)C(F)(F)F)N1CCOCC1.
What is the InChIKey of (1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate?
The InChIKey is GTVAECVPDCAJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c9-8(10,11)7(14)16-6(5-13)12-1-3-15-4-2-12/h5-6H,1-4H2.
What are the key properties of (1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate?
(1-morpholin-4-yl-2-oxoethyl) 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 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 87464062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).