ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate

C15H19F3N2O3 — CID 57253948

IUPACethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate
SMILESCCOC(=O)C(NC)C1CN(c2c(F)ccc(F)c2F)CCO1
InChIInChI=1S/C15H19F3N2O3/c1-3-22-15(21)13(19-2)11-8-20(6-7-23-11)14-10(17)5-4-9(16)12(14)18/h4-5,11,13,19H,3,6-8H2,1-2H3
InChIKeyLEBSOKAWWKJRQJ-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.46
Rot. Bonds5

About ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate

ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate (PubChem CID 57253948) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate
PubChem CID57253948
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Nameethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate
SMILESCCOC(=O)C(NC)C1CN(c2c(F)ccc(F)c2F)CCO1
InChIInChI=1S/C15H19F3N2O3/c1-3-22-15(21)13(19-2)11-8-20(6-7-23-11)14-10(17)5-4-9(16)12(14)18/h4-5,11,13,19H,3,6-8H2,1-2H3
InChIKeyLEBSOKAWWKJRQJ-UHFFFAOYSA-N
XLogP1.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate?
The IUPAC name of ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate (CID 57253948) is ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate.
What is the SMILES notation for ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate?
The canonical SMILES for ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate is CCOC(=O)C(NC)C1CN(c2c(F)ccc(F)c2F)CCO1.
What is the InChIKey of ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate?
The InChIKey is LEBSOKAWWKJRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-3-22-15(21)13(19-2)11-8-20(6-7-23-11)14-10(17)5-4-9(16)12(14)18/h4-5,11,13,19H,3,6-8H2,1-2H3.
What are the key properties of ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate?
ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate has a molecular weight of 332.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-2-[4-(2,3,6-trifluorophenyl)morpholin-2-yl]acetate is sourced from PubChem (CID 57253948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).