(3R,4S)-4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one

C13H16FNO2 — CID 10585948

IUPAC(3R,4S)-4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@H](c1ccccc1)N1C[C@H](CF)[C@@H](O)C1=O
InChIInChI=1S/C13H16FNO2/c1-9(10-5-3-2-4-6-10)15-8-11(7-14)12(16)13(15)17/h2-6,9,11-12,16H,7-8H2,1H3/t9-,11+,12-/m1/s1
InChIKeyVTWOTFNPUUIVBO-ADEWGFFLSA-N
MW237.27 g/mol
LogP1.54
Rot. Bonds3

About (3R,4S)-4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one

(3R,4S)-4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one (PubChem CID 10585948) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (3R,4S)-4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
PubChem CID10585948
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(3R,4S)-4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
SMILESC[C@H](c1ccccc1)N1C[C@H](CF)[C@@H](O)C1=O
InChIInChI=1S/C13H16FNO2/c1-9(10-5-3-2-4-6-10)15-8-11(7-14)12(16)13(15)17/h2-6,9,11-12,16H,7-8H2,1H3/t9-,11+,12-/m1/s1
InChIKeyVTWOTFNPUUIVBO-ADEWGFFLSA-N
XLogP1.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The IUPAC name of (3R,4S)-4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one (CID 10585948) is (3R,4S)-4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for (3R,4S)-4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for (3R,4S)-4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one is C[C@H](c1ccccc1)N1C[C@H](CF)[C@@H](O)C1=O.
What is the InChIKey of (3R,4S)-4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
The InChIKey is VTWOTFNPUUIVBO-ADEWGFFLSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9(10-5-3-2-4-6-10)15-8-11(7-14)12(16)13(15)17/h2-6,9,11-12,16H,7-8H2,1H3/t9-,11+,12-/m1/s1.
What are the key properties of (3R,4S)-4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one?
(3R,4S)-4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one has a molecular weight of 237.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(fluoromethyl)-3-hydroxy-1-[(1R)-1-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 10585948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).