1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C13H14F3NO2 — CID 3044238

IUPAC1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCCN1C(=O)CCC1(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO2/c1-2-17-11(18)6-7-12(17,19)9-4-3-5-10(8-9)13(14,15)16/h3-5,8,19H,2,6-7H2,1H3
InChIKeyZZYOSARVKQOTEO-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.49
Rot. Bonds2

About 1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 3044238) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID3044238
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCCN1C(=O)CCC1(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3NO2/c1-2-17-11(18)6-7-12(17,19)9-4-3-5-10(8-9)13(14,15)16/h3-5,8,19H,2,6-7H2,1H3
InChIKeyZZYOSARVKQOTEO-UHFFFAOYSA-N
XLogP2.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 3044238) is 1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is CCN1C(=O)CCC1(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is ZZYOSARVKQOTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-2-17-11(18)6-7-12(17,19)9-4-3-5-10(8-9)13(14,15)16/h3-5,8,19H,2,6-7H2,1H3.
What are the key properties of 1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 273.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 3044238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).