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

C11H10F3NO2 — CID 3044239

IUPAC5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCC(O)(c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)8-3-1-2-7(6-8)10(17)5-4-9(16)15-10/h1-3,6,17H,4-5H2,(H,15,16)
InChIKeyAVRJMHGSIAZZQT-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.76
Rot. Bonds1

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

5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 3044239) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID3044239
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CCC(O)(c2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)8-3-1-2-7(6-8)10(17)5-4-9(16)15-10/h1-3,6,17H,4-5H2,(H,15,16)
InChIKeyAVRJMHGSIAZZQT-UHFFFAOYSA-N
XLogP1.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 3044239) is 5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C1CCC(O)(c2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of 5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is AVRJMHGSIAZZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)8-3-1-2-7(6-8)10(17)5-4-9(16)15-10/h1-3,6,17H,4-5H2,(H,15,16).
What are the key properties of 5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 245.20 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 3044239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).