5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one

C11H11F3N2O3 — CID 56875977

IUPAC5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)8-6-16(3-4-19-8)10(18)7-1-2-9(17)15-5-7/h1-2,5,8H,3-4,6H2,(H,15,17)
InChIKeyCZPRJPAIKWFCBM-UHFFFAOYSA-N
MW276.21 g/mol
LogP0.78
Rot. Bonds1

About 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one

5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 56875977) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID56875977
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)8-6-16(3-4-19-8)10(18)7-1-2-9(17)15-5-7/h1-2,5,8H,3-4,6H2,(H,15,17)
InChIKeyCZPRJPAIKWFCBM-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 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one (CID 56875977) is 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is CZPRJPAIKWFCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)8-6-16(3-4-19-8)10(18)7-1-2-9(17)15-5-7/h1-2,5,8H,3-4,6H2,(H,15,17).
What are the key properties of 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
5-[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 5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56875977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).