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

C9H14F3NO2 — CID 114500226

IUPAC3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-one
SMILESCC1CN(CCOC(F)(F)F)CCC1=O
InChIInChI=1S/C9H14F3NO2/c1-7-6-13(3-2-8(7)14)4-5-15-9(10,11)12/h7H,2-6H2,1H3
InChIKeyGMIMKUAWULUEET-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.43
Rot. Bonds3

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

3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-one (PubChem CID 114500226) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-one
PubChem CID114500226
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-one
SMILESCC1CN(CCOC(F)(F)F)CCC1=O
InChIInChI=1S/C9H14F3NO2/c1-7-6-13(3-2-8(7)14)4-5-15-9(10,11)12/h7H,2-6H2,1H3
InChIKeyGMIMKUAWULUEET-UHFFFAOYSA-N
XLogP1.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-one?
The IUPAC name of 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-one (CID 114500226) is 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-one.
What is the SMILES notation for 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-one?
The canonical SMILES for 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-one is CC1CN(CCOC(F)(F)F)CCC1=O.
What is the InChIKey of 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-one?
The InChIKey is GMIMKUAWULUEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-7-6-13(3-2-8(7)14)4-5-15-9(10,11)12/h7H,2-6H2,1H3.
What are the key properties of 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-one?
3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-one has a molecular weight of 225.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(trifluoromethoxy)ethyl]piperidin-4-one is sourced from PubChem (CID 114500226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).