N-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide

C7H11F3N2O3 — CID 112700264

IUPACN-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide
SMILESO=C(NOCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C7H11F3N2O3/c8-7(9,10)5-15-11-6(13)12-1-3-14-4-2-12/h1-5H2,(H,11,13)
InChIKeyJBZUUXIFJDGTJV-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.52
Rot. Bonds2

About N-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide

N-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide (PubChem CID 112700264) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide
PubChem CID112700264
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC NameN-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide
SMILESO=C(NOCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C7H11F3N2O3/c8-7(9,10)5-15-11-6(13)12-1-3-14-4-2-12/h1-5H2,(H,11,13)
InChIKeyJBZUUXIFJDGTJV-UHFFFAOYSA-N
XLogP0.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide (CID 112700264) is N-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide is O=C(NOCC(F)(F)F)N1CCOCC1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide?
The InChIKey is JBZUUXIFJDGTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c8-7(9,10)5-15-11-6(13)12-1-3-14-4-2-12/h1-5H2,(H,11,13).
What are the key properties of N-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide?
N-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide has a molecular weight of 228.17 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)morpholine-4-carboxamide is sourced from PubChem (CID 112700264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).