3,4-difluoro-1-methylpyrrole-2,5-dione

C5H3F2NO2 — CID 18513438

IUPAC3,4-difluoro-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C(F)=C(F)C1=O
InChIInChI=1S/C5H3F2NO2/c1-8-4(9)2(6)3(7)5(8)10/h1H3
InChIKeyRXQZXZIVQNLWNA-UHFFFAOYSA-N
MW147.08 g/mol
LogP0.14
Rot. Bonds

About 3,4-difluoro-1-methylpyrrole-2,5-dione

3,4-difluoro-1-methylpyrrole-2,5-dione (PubChem CID 18513438) has the molecular formula C5H3F2NO2 and a molecular weight of 147.08 g/mol. Its IUPAC name is 3,4-difluoro-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-difluoro-1-methylpyrrole-2,5-dione
PubChem CID18513438
Molecular FormulaC5H3F2NO2
Molecular Weight147.08 g/mol
Exact Mass147.01
IUPAC Name3,4-difluoro-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C(F)=C(F)C1=O
InChIInChI=1S/C5H3F2NO2/c1-8-4(9)2(6)3(7)5(8)10/h1H3
InChIKeyRXQZXZIVQNLWNA-UHFFFAOYSA-N
XLogP0.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.08
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4,5,5-Tetrafluoro-1-methylpyrrol-2-one
CID 12689875
3-Fluoro-1-methylpyrrole-2,5-dione
CID 19830283

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-1-methylpyrrole-2,5-dione?
The IUPAC name of 3,4-difluoro-1-methylpyrrole-2,5-dione (CID 18513438) is 3,4-difluoro-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3,4-difluoro-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3,4-difluoro-1-methylpyrrole-2,5-dione is CN1C(=O)C(F)=C(F)C1=O.
What is the InChIKey of 3,4-difluoro-1-methylpyrrole-2,5-dione?
The InChIKey is RXQZXZIVQNLWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NO2/c1-8-4(9)2(6)3(7)5(8)10/h1H3.
What are the key properties of 3,4-difluoro-1-methylpyrrole-2,5-dione?
3,4-difluoro-1-methylpyrrole-2,5-dione has a molecular weight of 147.08 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 18513438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).