3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one

C10H12F3NO2 — CID 75484380

IUPAC3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
SMILESCc1cccn(CCOCC(F)(F)F)c1=O
InChIInChI=1S/C10H12F3NO2/c1-8-3-2-4-14(9(8)15)5-6-16-7-10(11,12)13/h2-4H,5-7H2,1H3
InChIKeyZRZGGIZUWVMMBC-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.74
Rot. Bonds4

About 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one

3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one (PubChem CID 75484380) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
PubChem CID75484380
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
SMILESCc1cccn(CCOCC(F)(F)F)c1=O
InChIInChI=1S/C10H12F3NO2/c1-8-3-2-4-14(9(8)15)5-6-16-7-10(11,12)13/h2-4H,5-7H2,1H3
InChIKeyZRZGGIZUWVMMBC-UHFFFAOYSA-N
XLogP1.74
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]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 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one?
The IUPAC name of 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one (CID 75484380) is 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one is Cc1cccn(CCOCC(F)(F)F)c1=O.
What is the InChIKey of 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one?
The InChIKey is ZRZGGIZUWVMMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-8-3-2-4-14(9(8)15)5-6-16-7-10(11,12)13/h2-4H,5-7H2,1H3.
What are the key properties of 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one?
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one has a molecular weight of 235.20 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 75484380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).