3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one

C10H16F3NO2 — CID 63828772

IUPAC3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one
SMILESCC1CN(CCOCC(F)(F)F)CCC1=O
InChIInChI=1S/C10H16F3NO2/c1-8-6-14(3-2-9(8)15)4-5-16-7-10(11,12)13/h8H,2-7H2,1H3
InChIKeyYYKALCPPTWBBBX-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.48
Rot. Bonds4

About 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one

3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one (PubChem CID 63828772) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one
PubChem CID63828772
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one
SMILESCC1CN(CCOCC(F)(F)F)CCC1=O
InChIInChI=1S/C10H16F3NO2/c1-8-6-14(3-2-9(8)15)4-5-16-7-10(11,12)13/h8H,2-7H2,1H3
InChIKeyYYKALCPPTWBBBX-UHFFFAOYSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.48
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]piperidin-4-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]piperidin-4-one?
The IUPAC name of 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one (CID 63828772) is 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one.
What is the SMILES notation for 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one?
The canonical SMILES for 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one is CC1CN(CCOCC(F)(F)F)CCC1=O.
What is the InChIKey of 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one?
The InChIKey is YYKALCPPTWBBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-8-6-14(3-2-9(8)15)4-5-16-7-10(11,12)13/h8H,2-7H2,1H3.
What are the key properties of 3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one?
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-one has a molecular weight of 239.24 g/mol, XLogP of 1.48, 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]piperidin-4-one is sourced from PubChem (CID 63828772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).