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

C16H16F3NO2 — CID 134311504

IUPAC1,3-dimethyl-5-[2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one
SMILESCc1cc(-c2ccccc2OCCC(F)(F)F)cn(C)c1=O
InChIInChI=1S/C16H16F3NO2/c1-11-9-12(10-20(2)15(11)21)13-5-3-4-6-14(13)22-8-7-16(17,18)19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyNRWOVYMRTDWECF-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.69
Rot. Bonds4

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

1,3-dimethyl-5-[2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one (PubChem CID 134311504) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one
PubChem CID134311504
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name1,3-dimethyl-5-[2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one
SMILESCc1cc(-c2ccccc2OCCC(F)(F)F)cn(C)c1=O
InChIInChI=1S/C16H16F3NO2/c1-11-9-12(10-20(2)15(11)21)13-5-3-4-6-14(13)22-8-7-16(17,18)19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyNRWOVYMRTDWECF-UHFFFAOYSA-N
XLogP3.69
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethyl-5-[2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one (CID 134311504) is 1,3-dimethyl-5-[2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one is Cc1cc(-c2ccccc2OCCC(F)(F)F)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one?
The InChIKey is NRWOVYMRTDWECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-11-9-12(10-20(2)15(11)21)13-5-3-4-6-14(13)22-8-7-16(17,18)19/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one?
1,3-dimethyl-5-[2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one has a molecular weight of 311.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 134311504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).