(3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one

C5H8FNO2 — CID 124674274

IUPAC(3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1N[C@H](CO)C[C@@H]1F
InChIInChI=1S/C5H8FNO2/c6-4-1-3(2-8)7-5(4)9/h3-4,8H,1-2H2,(H,7,9)/t3-,4-/m0/s1
InChIKeyMEFURQKDWBGYNF-IMJSIDKUSA-N
MW133.12 g/mol
LogP-0.79
Rot. Bonds1

About (3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one

(3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 124674274) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is (3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID124674274
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name(3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1N[C@H](CO)C[C@@H]1F
InChIInChI=1S/C5H8FNO2/c6-4-1-3(2-8)7-5(4)9/h3-4,8H,1-2H2,(H,7,9)/t3-,4-/m0/s1
InChIKeyMEFURQKDWBGYNF-IMJSIDKUSA-N
XLogP-0.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one (CID 124674274) is (3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one is O=C1N[C@H](CO)C[C@@H]1F.
What is the InChIKey of (3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is MEFURQKDWBGYNF-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-4-1-3(2-8)7-5(4)9/h3-4,8H,1-2H2,(H,7,9)/t3-,4-/m0/s1.
What are the key properties of (3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one?
(3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 133.12 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 124674274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).