(3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one

C14H18FNO2 — CID 58945363

IUPAC(3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
SMILESCC(F)C1CN([C@H](C)c2ccccc2)C(=O)[C@@H]1O
InChIInChI=1S/C14H18FNO2/c1-9(15)12-8-16(14(18)13(12)17)10(2)11-6-4-3-5-7-11/h3-7,9-10,12-13,17H,8H2,1-2H3/t9?,10-,12?,13-/m1/s1
InChIKeyNIXYCHVJWJRNQR-UTZTVMBJSA-N
MW251.30 g/mol
LogP1.92
Rot. Bonds3

About (3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one

(3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 58945363) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
PubChem CID58945363
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
SMILESCC(F)C1CN([C@H](C)c2ccccc2)C(=O)[C@@H]1O
InChIInChI=1S/C14H18FNO2/c1-9(15)12-8-16(14(18)13(12)17)10(2)11-6-4-3-5-7-11/h3-7,9-10,12-13,17H,8H2,1-2H3/t9?,10-,12?,13-/m1/s1
InChIKeyNIXYCHVJWJRNQR-UTZTVMBJSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2-oxoethanol
CID 24901497
4-acetyl-3-hydroxy-1-(3-hydroxypropyl)-5-phenyl-1,5-dihydro-2H-pyrrol-2-one
CID 2868300
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 519682
1-Benzyl-4-hydroxypyrrolidin-2-one
CID 9920606
US10214537, Example 153
CID 132220333
1-Benzyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 178824
(4S)-1-Benzyl-4-hydroxypyrrolidin-2-one
CID 11074227
1-Benzyl-3-hydroxypyrrolidin-2-one
CID 219255
1-[(2S,4R)-4-hydroxy-2-phenylpyrrolidin-1-yl]-2,2-dimethylbutan-1-one
CID 121446477
US10214537, Example 145
CID 132220323
US10214537, Example 151
CID 132220330

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of (3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one (CID 58945363) is (3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one is CC(F)C1CN([C@H](C)c2ccccc2)C(=O)[C@@H]1O.
What is the InChIKey of (3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is NIXYCHVJWJRNQR-UTZTVMBJSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9(15)12-8-16(14(18)13(12)17)10(2)11-6-4-3-5-7-11/h3-7,9-10,12-13,17H,8H2,1-2H3/t9?,10-,12?,13-/m1/s1.
What are the key properties of (3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
(3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 251.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(1-fluoroethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 58945363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).