3,3-difluoropyrrolidine-2,5-dione

C4H3F2NO2 — CID 175055206

IUPAC3,3-difluoropyrrolidine-2,5-dione
SMILESO=C1CC(F)(F)C(=O)N1
InChIInChI=1S/C4H3F2NO2/c5-4(6)1-2(8)7-3(4)9/h1H2,(H,7,8,9)
InChIKeyVLRWDPNXTISXHW-UHFFFAOYSA-N
MW135.07 g/mol
LogP-0.33
Rot. Bonds

About 3,3-difluoropyrrolidine-2,5-dione

3,3-difluoropyrrolidine-2,5-dione (PubChem CID 175055206) has the molecular formula C4H3F2NO2 and a molecular weight of 135.07 g/mol. Its IUPAC name is 3,3-difluoropyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-difluoropyrrolidine-2,5-dione
PubChem CID175055206
Molecular FormulaC4H3F2NO2
Molecular Weight135.07 g/mol
Exact Mass135.01
IUPAC Name3,3-difluoropyrrolidine-2,5-dione
SMILESO=C1CC(F)(F)C(=O)N1
InChIInChI=1S/C4H3F2NO2/c5-4(6)1-2(8)7-3(4)9/h1H2,(H,7,8,9)
InChIKeyVLRWDPNXTISXHW-UHFFFAOYSA-N
XLogP-0.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.07
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropyrrolidine-2,5-dione?
The IUPAC name of 3,3-difluoropyrrolidine-2,5-dione (CID 175055206) is 3,3-difluoropyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-difluoropyrrolidine-2,5-dione?
The canonical SMILES for 3,3-difluoropyrrolidine-2,5-dione is O=C1CC(F)(F)C(=O)N1.
What is the InChIKey of 3,3-difluoropyrrolidine-2,5-dione?
The InChIKey is VLRWDPNXTISXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2NO2/c5-4(6)1-2(8)7-3(4)9/h1H2,(H,7,8,9).
What are the key properties of 3,3-difluoropyrrolidine-2,5-dione?
3,3-difluoropyrrolidine-2,5-dione has a molecular weight of 135.07 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropyrrolidine-2,5-dione is sourced from PubChem (CID 175055206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).