1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

C15H20F3NO3 — CID 157041540

IUPAC1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCOC1CCOCC1n1cc(C(F)(F)F)cc(C(C)C)c1=O
InChIInChI=1S/C15H20F3NO3/c1-9(2)11-6-10(15(16,17)18)7-19(14(11)20)12-8-22-5-4-13(12)21-3/h6-7,9,12-13H,4-5,8H2,1-3H3
InChIKeyXEBSAUWZAKSNGI-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.97
Rot. Bonds3

About 1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 157041540) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID157041540
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Name1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCOC1CCOCC1n1cc(C(F)(F)F)cc(C(C)C)c1=O
InChIInChI=1S/C15H20F3NO3/c1-9(2)11-6-10(15(16,17)18)7-19(14(11)20)12-8-22-5-4-13(12)21-3/h6-7,9,12-13H,4-5,8H2,1-3H3
InChIKeyXEBSAUWZAKSNGI-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041539
3-Amino-1-(4-methoxyoxan-3-yl)-5-(trifluoromethyl)pyridin-2-one
CID 157041573
1-(1,4-Dioxan-2-ylmethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane
CID 157041906
3-Tert-butyl-1-(4-methoxyoxan-3-yl)-5-(trifluoromethyl)pyridin-2-one
CID 157042399
3-amino-1-[(3S,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one
CID 157042504
Ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 164558740
1-(Oxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 164560058
3-amino-1-[(3R,4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one
CID 166507387
3-amino-1-[(4R)-4-methoxyoxan-3-yl]-5-(trifluoromethyl)pyridin-2-one
CID 167271905
3-Methyl-1-(4-methyloxan-3-yl)-5-(trifluoromethyl)pyridin-2-one
CID 169959735
3-Tert-butyl-1-(4-methyloxan-3-yl)-5-(trifluoromethyl)pyridin-2-one
CID 170109527
1-(1,4-Dioxan-2-ylmethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041907

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 157041540) is 1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is COC1CCOCC1n1cc(C(F)(F)F)cc(C(C)C)c1=O.
What is the InChIKey of 1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is XEBSAUWZAKSNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3/c1-9(2)11-6-10(15(16,17)18)7-19(14(11)20)12-8-22-5-4-13(12)21-3/h6-7,9,12-13H,4-5,8H2,1-3H3.
What are the key properties of 1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 319.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 157041540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).