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

C14H18F3NO2 — CID 164560058

IUPAC1-(oxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1cc(C(F)(F)F)cn(C2CCCOC2)c1=O
InChIInChI=1S/C14H18F3NO2/c1-9(2)12-6-10(14(15,16)17)7-18(13(12)19)11-4-3-5-20-8-11/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyKPFPZIONEKRVGJ-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.34
Rot. Bonds2

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

1-(oxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 164560058) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-(oxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(oxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID164560058
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name1-(oxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1cc(C(F)(F)F)cn(C2CCCOC2)c1=O
InChIInChI=1S/C14H18F3NO2/c1-9(2)12-6-10(14(15,16)17)7-18(13(12)19)11-4-3-5-20-8-11/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyKPFPZIONEKRVGJ-UHFFFAOYSA-N
XLogP3.34
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041508
Ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041510
Ethane;1-(4-methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041539
Ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041812
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
Ethane;1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 164558740
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
5-Fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178099286
1-(2-Methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041509
1-(4-Methoxyoxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041540

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(oxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 164560058) is 1-(oxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(oxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(oxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is CC(C)c1cc(C(F)(F)F)cn(C2CCCOC2)c1=O.
What is the InChIKey of 1-(oxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is KPFPZIONEKRVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-9(2)12-6-10(14(15,16)17)7-18(13(12)19)11-4-3-5-20-8-11/h6-7,9,11H,3-5,8H2,1-2H3.
What are the key properties of 1-(oxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
1-(oxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 289.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 164560058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).