(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

C11H10F3NO2 — CID 154498751

IUPAC(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1[C@H](O)CCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)7-1-3-8(4-2-7)15-6-5-9(16)10(15)17/h1-4,9,16H,5-6H2/t9-/m1/s1
InChIKeyLNNKSVIXBGMYBB-SECBINFHSA-N
MW245.20 g/mol
LogP1.80
Rot. Bonds1

About (3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 154498751) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID154498751
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1[C@H](O)CCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)7-1-3-8(4-2-7)15-6-5-9(16)10(15)17/h1-4,9,16H,5-6H2/t9-/m1/s1
InChIKeyLNNKSVIXBGMYBB-SECBINFHSA-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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Related Compounds

3-hydroxy-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one
CID 140977118
(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one
CID 122515775
3-[4-(hydroxymethyl)piperidin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 111122665
1-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904485
(3R)-1-(3,5-difluorophenyl)-3-hydroxypyrrolidin-2-one
CID 59593460
5-hydroxy-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 54289121
4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide
CID 86969741
(3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 139712286
3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 167776819
N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide
CID 166411468
3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956925
4-[4-(trifluoromethyl)phenyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodecane-3,5-dione
CID 68545814

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 154498751) is (3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C1[C@H](O)CCN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is LNNKSVIXBGMYBB-SECBINFHSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)7-1-3-8(4-2-7)15-6-5-9(16)10(15)17/h1-4,9,16H,5-6H2/t9-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
(3R)-3-hydroxy-1-[4-(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 (3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 154498751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).