2-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one

C13H20F3NO2 — CID 79545082

IUPAC2-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1CCOC(F)(F)F
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)19-9-8-17-7-2-1-5-11(17)10-4-3-6-12(10)18/h10-11H,1-9H2
InChIKeyJFYJGBFTJMTURX-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.75
Rot. Bonds4

About 2-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one

2-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one (PubChem CID 79545082) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one
PubChem CID79545082
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name2-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one
SMILESO=C1CCCC1C1CCCCN1CCOC(F)(F)F
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)19-9-8-17-7-2-1-5-11(17)10-4-3-6-12(10)18/h10-11H,1-9H2
InChIKeyJFYJGBFTJMTURX-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one (CID 79545082) is 2-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one is O=C1CCCC1C1CCCCN1CCOC(F)(F)F.
What is the InChIKey of 2-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one?
The InChIKey is JFYJGBFTJMTURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c14-13(15,16)19-9-8-17-7-2-1-5-11(17)10-4-3-6-12(10)18/h10-11H,1-9H2.
What are the key properties of 2-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one?
2-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one has a molecular weight of 279.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(trifluoromethoxy)ethyl]piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79545082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).