1-(2-hydroxy-3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyridin-2-one

C12H16F3NO3 — CID 84590285

IUPAC1-(2-hydroxy-3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyridin-2-one
SMILESCC(C)OCC(O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C12H16F3NO3/c1-8(2)19-7-9(17)6-16-5-3-4-10(11(16)18)12(13,14)15/h3-5,8-9,17H,6-7H2,1-2H3
InChIKeyWOLXGGPFXWMKJQ-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.65
Rot. Bonds5

About 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyridin-2-one

1-(2-hydroxy-3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyridin-2-one (PubChem CID 84590285) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyridin-2-one
PubChem CID84590285
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name1-(2-hydroxy-3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyridin-2-one
SMILESCC(C)OCC(O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C12H16F3NO3/c1-8(2)19-7-9(17)6-16-5-3-4-10(11(16)18)12(13,14)15/h3-5,8-9,17H,6-7H2,1-2H3
InChIKeyWOLXGGPFXWMKJQ-UHFFFAOYSA-N
XLogP1.65
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyridin-2-one (CID 84590285) is 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyridin-2-one is CC(C)OCC(O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is WOLXGGPFXWMKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3/c1-8(2)19-7-9(17)6-16-5-3-4-10(11(16)18)12(13,14)15/h3-5,8-9,17H,6-7H2,1-2H3.
What are the key properties of 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyridin-2-one?
1-(2-hydroxy-3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 279.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-propan-2-yloxypropyl)-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 84590285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).