(3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one

C11H11F3N2O3 — CID 118417694

IUPAC(3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
SMILESO=C1NCC[C@H]1Oc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)6-18-9-2-1-7(5-16-9)19-8-3-4-15-10(8)17/h1-2,5,8H,3-4,6H2,(H,15,17)/t8-/m1/s1
InChIKeyRYZLCGIMRRJAGT-MRVPVSSYSA-N
MW276.21 g/mol
LogP1.29
Rot. Bonds4

About (3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one

(3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one (PubChem CID 118417694) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is (3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
PubChem CID118417694
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name(3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
SMILESO=C1NCC[C@H]1Oc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)6-18-9-2-1-7(5-16-9)19-8-3-4-15-10(8)17/h1-2,5,8H,3-4,6H2,(H,15,17)/t8-/m1/s1
InChIKeyRYZLCGIMRRJAGT-MRVPVSSYSA-N
XLogP1.29
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[[6-(4-fluorophenoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
CID 86715088
1-[5-[(3R)-2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]azetidine-3-carboxylic acid
CID 135306694
1-[5-[(3R)-2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide
CID 135306629
6-(2,2,2-trifluoroethoxy)pyridine-3-thiol
CID 123782720
methyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate
CID 90091831
N,N-dimethyl-2-[3-[5-[(3R)-2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]cyclobutyl]acetamide
CID 167004104
(3R)-1-[2-(3-methylsulfonylazetidin-1-yl)-3H-azepin-6-yl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one
CID 162609038
N,N-dimethyl-2-[3-oxo-5-[2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 123393220
N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119388337
(3R)-3-[4-(cyclopropanecarbonyl)phenoxy]pyrrolidin-2-one
CID 135306604
3-[4-(1-aminoethyl)phenoxy]pyrrolidin-2-one
CID 117052210
(3S)-3-[4-(pyridin-3-ylmethoxy)phenoxy]azepan-2-one
CID 99839308

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one?
The IUPAC name of (3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one (CID 118417694) is (3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one is O=C1NCC[C@H]1Oc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of (3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one?
The InChIKey is RYZLCGIMRRJAGT-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)6-18-9-2-1-7(5-16-9)19-8-3-4-15-10(8)17/h1-2,5,8H,3-4,6H2,(H,15,17)/t8-/m1/s1.
What are the key properties of (3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one?
(3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one has a molecular weight of 276.21 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-2-one is sourced from PubChem (CID 118417694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).