1-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one

C12H13F3N2O2 — CID 86782663

IUPAC1-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-3-1-4-10(16-9)19-8-7-17-6-2-5-11(17)18/h1,3-4H,2,5-8H2
InChIKeyCOMKQBQYQFIRCI-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one

1-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 86782663) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
PubChem CID86782663
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name1-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-3-1-4-10(16-9)19-8-7-17-6-2-5-11(17)18/h1,3-4H,2,5-8H2
InChIKeyCOMKQBQYQFIRCI-UHFFFAOYSA-N
XLogP2.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one (CID 86782663) is 1-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1cccc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is COMKQBQYQFIRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)9-3-1-4-10(16-9)19-8-7-17-6-2-5-11(17)18/h1,3-4H,2,5-8H2.
What are the key properties of 1-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
1-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 274.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 86782663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).