3-[2-(trifluoromethoxy)ethyl]piperidin-2-one

C8H12F3NO2 — CID 104679119

IUPAC3-[2-(trifluoromethoxy)ethyl]piperidin-2-one
SMILESO=C1NCCCC1CCOC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)14-5-3-6-2-1-4-12-7(6)13/h6H,1-5H2,(H,12,13)
InChIKeyWANHQGXTXWAXDO-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.44
Rot. Bonds3

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

3-[2-(trifluoromethoxy)ethyl]piperidin-2-one (PubChem CID 104679119) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)ethyl]piperidin-2-one.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)ethyl]piperidin-2-one
PubChem CID104679119
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name3-[2-(trifluoromethoxy)ethyl]piperidin-2-one
SMILESO=C1NCCCC1CCOC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)14-5-3-6-2-1-4-12-7(6)13/h6H,1-5H2,(H,12,13)
InChIKeyWANHQGXTXWAXDO-UHFFFAOYSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethoxy)ethyl]piperidin-2-one?
The IUPAC name of 3-[2-(trifluoromethoxy)ethyl]piperidin-2-one (CID 104679119) is 3-[2-(trifluoromethoxy)ethyl]piperidin-2-one.
What is the SMILES notation for 3-[2-(trifluoromethoxy)ethyl]piperidin-2-one?
The canonical SMILES for 3-[2-(trifluoromethoxy)ethyl]piperidin-2-one is O=C1NCCCC1CCOC(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethoxy)ethyl]piperidin-2-one?
The InChIKey is WANHQGXTXWAXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)14-5-3-6-2-1-4-12-7(6)13/h6H,1-5H2,(H,12,13).
What are the key properties of 3-[2-(trifluoromethoxy)ethyl]piperidin-2-one?
3-[2-(trifluoromethoxy)ethyl]piperidin-2-one has a molecular weight of 211.18 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethoxy)ethyl]piperidin-2-one is sourced from PubChem (CID 104679119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).