1-tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one

C14H19F3N2O2 — CID 90395511

IUPAC1-tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
SMILESCC(C)(C)n1ccc(C(F)(F)F)c(N2CCOCC2)c1=O
InChIInChI=1S/C14H19F3N2O2/c1-13(2,3)19-5-4-10(14(15,16)17)11(12(19)20)18-6-8-21-9-7-18/h4-5H,6-9H2,1-3H3
InChIKeyXNPMLQIZTZDMCK-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.46
Rot. Bonds1

About 1-tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one

1-tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 90395511) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
PubChem CID90395511
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name1-tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
SMILESCC(C)(C)n1ccc(C(F)(F)F)c(N2CCOCC2)c1=O
InChIInChI=1S/C14H19F3N2O2/c1-13(2,3)19-5-4-10(14(15,16)17)11(12(19)20)18-6-8-21-9-7-18/h4-5H,6-9H2,1-3H3
InChIKeyXNPMLQIZTZDMCK-UHFFFAOYSA-N
XLogP2.46
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one (CID 90395511) is 1-tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one is CC(C)(C)n1ccc(C(F)(F)F)c(N2CCOCC2)c1=O.
What is the InChIKey of 1-tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is XNPMLQIZTZDMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-13(2,3)19-5-4-10(14(15,16)17)11(12(19)20)18-6-8-21-9-7-18/h4-5H,6-9H2,1-3H3.
What are the key properties of 1-tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one?
1-tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 304.31 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 90395511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).