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

C11H10F3NO2 — CID 57267486

IUPAC(3S)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1[C@@H](O)CCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)7-2-1-3-8(6-7)15-5-4-9(16)10(15)17/h1-3,6,9,16H,4-5H2/t9-/m0/s1
InChIKeyGOTBRORCCUTKBB-VIFPVBQESA-N
MW245.20 g/mol
LogP1.80
Rot. Bonds1

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

(3S)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 57267486) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID57267486
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name(3S)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1[C@@H](O)CCN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)7-2-1-3-8(6-7)15-5-4-9(16)10(15)17/h1-3,6,9,16H,4-5H2/t9-/m0/s1
InChIKeyGOTBRORCCUTKBB-VIFPVBQESA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 57267486) is (3S)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C1[C@@H](O)CCN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3S)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is GOTBRORCCUTKBB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)7-2-1-3-8(6-7)15-5-4-9(16)10(15)17/h1-3,6,9,16H,4-5H2/t9-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
(3S)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 245.20 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 57267486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).