(3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one

C12H14FNO2 — CID 134964162

IUPAC(3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one
SMILESC[C@H](O)[C@]1(F)C(=O)NC[C@H]1c1ccccc1
InChIInChI=1S/C12H14FNO2/c1-8(15)12(13)10(7-14-11(12)16)9-5-3-2-4-6-9/h2-6,8,10,15H,7H2,1H3,(H,14,16)/t8-,10-,12+/m0/s1
InChIKeyRUDBTNVULUPJHX-PTOFAABTSA-N
MW223.25 g/mol
LogP0.99
Rot. Bonds2

About (3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one

(3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one (PubChem CID 134964162) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one
PubChem CID134964162
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one
SMILESC[C@H](O)[C@]1(F)C(=O)NC[C@H]1c1ccccc1
InChIInChI=1S/C12H14FNO2/c1-8(15)12(13)10(7-14-11(12)16)9-5-3-2-4-6-9/h2-6,8,10,15H,7H2,1H3,(H,14,16)/t8-,10-,12+/m0/s1
InChIKeyRUDBTNVULUPJHX-PTOFAABTSA-N
XLogP0.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxo-4-phenylpyrrolidine-3-carboxylic acid
CID 2836868
Berkeleyamide A
CID 44577362
Ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 313653
Methyl 2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 658845
Ethyl 5-methyl-2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 659775
Mls003171156
CID 338072
8-hydroxy-N-(2-phenylethyl)pentadecanamide
CID 11726119
(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid
CID 762603
Streptopyrrolidine
CID 25033126
(4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one
CID 11310032
3-(1-Hydroxy-3-oxo-4-phenylbutyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 74342750
3-hydroxy-2,2-dimethyl-7-phenyl-N-prop-2-enylheptanamide
CID 24894021

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one?
The IUPAC name of (3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one (CID 134964162) is (3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one?
The canonical SMILES for (3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one is C[C@H](O)[C@]1(F)C(=O)NC[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one?
The InChIKey is RUDBTNVULUPJHX-PTOFAABTSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8(15)12(13)10(7-14-11(12)16)9-5-3-2-4-6-9/h2-6,8,10,15H,7H2,1H3,(H,14,16)/t8-,10-,12+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one?
(3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 134964162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).