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

C13H16F3NO2 — CID 164558741

IUPAC1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1cc(C(F)(F)F)cn(C2CCOC2)c1=O
InChIInChI=1S/C13H16F3NO2/c1-8(2)11-5-9(13(14,15)16)6-17(12(11)18)10-3-4-19-7-10/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyCEDQLDAFNRMZCL-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.95
Rot. Bonds2

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

1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 164558741) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID164558741
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1cc(C(F)(F)F)cn(C2CCOC2)c1=O
InChIInChI=1S/C13H16F3NO2/c1-8(2)11-5-9(13(14,15)16)6-17(12(11)18)10-3-4-19-7-10/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyCEDQLDAFNRMZCL-UHFFFAOYSA-N
XLogP2.95
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 164558741) is 1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is CC(C)c1cc(C(F)(F)F)cn(C2CCOC2)c1=O.
What is the InChIKey of 1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is CEDQLDAFNRMZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-8(2)11-5-9(13(14,15)16)6-17(12(11)18)10-3-4-19-7-10/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 275.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 164558741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).