3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one

C11H11F3N2O3 — CID 56865113

IUPAC3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)8-6-16(4-5-19-8)10(18)7-2-1-3-15-9(7)17/h1-3,8H,4-6H2,(H,15,17)
InChIKeyPSPNQNAOYCNXNO-UHFFFAOYSA-N
MW276.21 g/mol
LogP0.78
Rot. Bonds1

About 3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one

3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 56865113) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID56865113
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)8-6-16(4-5-19-8)10(18)7-2-1-3-15-9(7)17/h1-3,8H,4-6H2,(H,15,17)
InChIKeyPSPNQNAOYCNXNO-UHFFFAOYSA-N
XLogP0.78
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one (CID 56865113) is 3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of 3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is PSPNQNAOYCNXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)8-6-16(4-5-19-8)10(18)7-2-1-3-15-9(7)17/h1-3,8H,4-6H2,(H,15,17).
What are the key properties of 3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 276.21 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56865113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).