1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one

C11H12FNOS — CID 168709502

IUPAC1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1Cc1ccccc1F
InChIInChI=1S/C11H12FNOS/c12-10-4-2-1-3-8(10)6-13-7-9(15)5-11(13)14/h1-4,9,15H,5-7H2
InChIKeyGHBIQNKTQJORCM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.86
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one

1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one (PubChem CID 168709502) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one
PubChem CID168709502
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1Cc1ccccc1F
InChIInChI=1S/C11H12FNOS/c12-10-4-2-1-3-8(10)6-13-7-9(15)5-11(13)14/h1-4,9,15H,5-7H2
InChIKeyGHBIQNKTQJORCM-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 168688746
4-ethynyl-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 168501779
1-[(2,3-dimethylphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168709083
1-[(2-ethoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708283
1-[(2-chloro-3-pyridinyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168709567
1-(1-benzothiophen-3-ylmethyl)-4-sulfanylpyrrolidin-2-one
CID 168709584
1-[(4-benzylphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 22292958
1-[(2,3-dimethoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708609
(3S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018474
N-[(2-chlorophenyl)methyl]-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183420
(4R)-1-[(4-phenoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 12043885
1-(2-naphthalen-1-ylethyl)-4-sulfanylpyrrolidin-2-one
CID 168709415

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one (CID 168709502) is 1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one?
The InChIKey is GHBIQNKTQJORCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c12-10-4-2-1-3-8(10)6-13-7-9(15)5-11(13)14/h1-4,9,15H,5-7H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one?
1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one has a molecular weight of 225.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168709502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).