(5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C8H11F4NO2 — CID 134214150

IUPAC(5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1N[C@H](CCO)CC1(F)CC(F)(F)F
InChIInChI=1S/C8H11F4NO2/c9-7(4-8(10,11)12)3-5(1-2-14)13-6(7)15/h5,14H,1-4H2,(H,13,15)/t5-,7?/m1/s1
InChIKeyLLNCRJJYOWGQSQ-FOUAAFFMSA-N
MW229.17 g/mol
LogP0.92
Rot. Bonds3

About (5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 134214150) has the molecular formula C8H11F4NO2 and a molecular weight of 229.17 g/mol. Its IUPAC name is (5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID134214150
Molecular FormulaC8H11F4NO2
Molecular Weight229.17 g/mol
Exact Mass229.07
IUPAC Name(5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1N[C@H](CCO)CC1(F)CC(F)(F)F
InChIInChI=1S/C8H11F4NO2/c9-7(4-8(10,11)12)3-5(1-2-14)13-6(7)15/h5,14H,1-4H2,(H,13,15)/t5-,7?/m1/s1
InChIKeyLLNCRJJYOWGQSQ-FOUAAFFMSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 134214150) is (5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1N[C@H](CCO)CC1(F)CC(F)(F)F.
What is the InChIKey of (5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is LLNCRJJYOWGQSQ-FOUAAFFMSA-N. The full InChI is InChI=1S/C8H11F4NO2/c9-7(4-8(10,11)12)3-5(1-2-14)13-6(7)15/h5,14H,1-4H2,(H,13,15)/t5-,7?/m1/s1.
What are the key properties of (5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 229.17 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-fluoro-5-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 134214150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).