1,3-dimethyl-5-[5-propyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one

C18H20F3NO2 — CID 134311043

IUPAC1,3-dimethyl-5-[5-propyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one
SMILESCCCc1ccc(OCC(F)(F)F)c(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C18H20F3NO2/c1-4-5-13-6-7-16(24-11-18(19,20)21)15(9-13)14-8-12(2)17(23)22(3)10-14/h6-10H,4-5,11H2,1-3H3
InChIKeyCEGNLBYAZURITG-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.25
Rot. Bonds5

About 1,3-dimethyl-5-[5-propyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one

1,3-dimethyl-5-[5-propyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one (PubChem CID 134311043) has the molecular formula C18H20F3NO2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-[5-propyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[5-propyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one
PubChem CID134311043
Molecular FormulaC18H20F3NO2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name1,3-dimethyl-5-[5-propyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one
SMILESCCCc1ccc(OCC(F)(F)F)c(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C18H20F3NO2/c1-4-5-13-6-7-16(24-11-18(19,20)21)15(9-13)14-8-12(2)17(23)22(3)10-14/h6-10H,4-5,11H2,1-3H3
InChIKeyCEGNLBYAZURITG-UHFFFAOYSA-N
XLogP4.25
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[5-propyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[5-propyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one (CID 134311043) is 1,3-dimethyl-5-[5-propyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[5-propyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[5-propyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one is CCCc1ccc(OCC(F)(F)F)c(-c2cc(C)c(=O)n(C)c2)c1.
What is the InChIKey of 1,3-dimethyl-5-[5-propyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one?
The InChIKey is CEGNLBYAZURITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO2/c1-4-5-13-6-7-16(24-11-18(19,20)21)15(9-13)14-8-12(2)17(23)22(3)10-14/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[5-propyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one?
1,3-dimethyl-5-[5-propyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one has a molecular weight of 339.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[5-propyl-2-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 134311043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).