1-tert-butyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one

C14H19F3N2O2 — CID 90395510

IUPAC1-tert-butyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
SMILESCC(C)(C)n1cc(N2CCOCC2)c(C(F)(F)F)cc1=O
InChIInChI=1S/C14H19F3N2O2/c1-13(2,3)19-9-11(18-4-6-21-7-5-18)10(8-12(19)20)14(15,16)17/h8-9H,4-7H2,1-3H3
InChIKeyBOXGJGYYQDKIGQ-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.46
Rot. Bonds1

About 1-tert-butyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one

1-tert-butyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 90395510) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-tert-butyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-tert-butyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
PubChem CID90395510
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name1-tert-butyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
SMILESCC(C)(C)n1cc(N2CCOCC2)c(C(F)(F)F)cc1=O
InChIInChI=1S/C14H19F3N2O2/c1-13(2,3)19-9-11(18-4-6-21-7-5-18)10(8-12(19)20)14(15,16)17/h8-9H,4-7H2,1-3H3
InChIKeyBOXGJGYYQDKIGQ-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-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-tert-butyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one (CID 90395510) is 1-tert-butyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-tert-butyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-tert-butyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one is CC(C)(C)n1cc(N2CCOCC2)c(C(F)(F)F)cc1=O.
What is the InChIKey of 1-tert-butyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is BOXGJGYYQDKIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-13(2,3)19-9-11(18-4-6-21-7-5-18)10(8-12(19)20)14(15,16)17/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one?
1-tert-butyl-5-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-5-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 90395510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).