3,5-difluoro-4-hydroxypyrrolidin-2-one

C4H5F2NO2 — CID 166721945

IUPAC3,5-difluoro-4-hydroxypyrrolidin-2-one
SMILESO=C1NC(F)C(O)C1F
InChIInChI=1S/C4H5F2NO2/c5-1-2(8)3(6)7-4(1)9/h1-3,8H,(H,7,9)
InChIKeySXJXFVFIJQDZHG-UHFFFAOYSA-N
MW137.08 g/mol
LogP-0.89
Rot. Bonds

About 3,5-difluoro-4-hydroxypyrrolidin-2-one

3,5-difluoro-4-hydroxypyrrolidin-2-one (PubChem CID 166721945) has the molecular formula C4H5F2NO2 and a molecular weight of 137.08 g/mol. Its IUPAC name is 3,5-difluoro-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name3,5-difluoro-4-hydroxypyrrolidin-2-one
PubChem CID166721945
Molecular FormulaC4H5F2NO2
Molecular Weight137.08 g/mol
Exact Mass137.03
IUPAC Name3,5-difluoro-4-hydroxypyrrolidin-2-one
SMILESO=C1NC(F)C(O)C1F
InChIInChI=1S/C4H5F2NO2/c5-1-2(8)3(6)7-4(1)9/h1-3,8H,(H,7,9)
InChIKeySXJXFVFIJQDZHG-UHFFFAOYSA-N
XLogP-0.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.08
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydroxypyrrolidin-2-one?
The IUPAC name of 3,5-difluoro-4-hydroxypyrrolidin-2-one (CID 166721945) is 3,5-difluoro-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 3,5-difluoro-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 3,5-difluoro-4-hydroxypyrrolidin-2-one is O=C1NC(F)C(O)C1F.
What is the InChIKey of 3,5-difluoro-4-hydroxypyrrolidin-2-one?
The InChIKey is SXJXFVFIJQDZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NO2/c5-1-2(8)3(6)7-4(1)9/h1-3,8H,(H,7,9).
What are the key properties of 3,5-difluoro-4-hydroxypyrrolidin-2-one?
3,5-difluoro-4-hydroxypyrrolidin-2-one has a molecular weight of 137.08 g/mol, XLogP of -0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 166721945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).