1-(2,2-difluoroethyl)-3-methylpyrrole-2,5-dione

C7H7F2NO2 — CID 115407342

IUPAC1-(2,2-difluoroethyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC(F)F)C1=O
InChIInChI=1S/C7H7F2NO2/c1-4-2-6(11)10(7(4)12)3-5(8)9/h2,5H,3H2,1H3
InChIKeyOEPQQXBLVDIPII-UHFFFAOYSA-N
MW175.13 g/mol
LogP0.57
Rot. Bonds2

About 1-(2,2-difluoroethyl)-3-methylpyrrole-2,5-dione

1-(2,2-difluoroethyl)-3-methylpyrrole-2,5-dione (PubChem CID 115407342) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methylpyrrole-2,5-dione
PubChem CID115407342
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name1-(2,2-difluoroethyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC(F)F)C1=O
InChIInChI=1S/C7H7F2NO2/c1-4-2-6(11)10(7(4)12)3-5(8)9/h2,5H,3H2,1H3
InChIKeyOEPQQXBLVDIPII-UHFFFAOYSA-N
XLogP0.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 50.57
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

Maleimide, N-ethyl-2-methyl-
CID 35753
1,3-dimethyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 12412995
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 19821160
3-methyl-1-(3,3,3-trifluoropropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 60977138
1H-Pyrrole-2,5-dione, 3-methyl-1-(2-propenyl)-
CID 12119846
1,4-dimethyl-2H-pyrrol-5-one
CID 12394646
3-Methyl-1-propylpyrrole-2,5-dione
CID 15697210
1-Butyl-3-methyl-1H-pyrrole-2,5-dione
CID 19068312
1-Methyl-3-(trifluoromethyl)pyrrole-2,5-dione
CID 18513440
1-(2,2,3,3-Tetrafluoropropyl)pyrrole-2,5-dione
CID 19821163
3-Methyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)pyrrole-2,5-dione
CID 20319913
2,2,2-Trifluoro-1-(3-methyl-2,5-dihydropyrrol-1-yl)ethanone
CID 58450998

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methylpyrrole-2,5-dione (CID 115407342) is 1-(2,2-difluoroethyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(CC(F)F)C1=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methylpyrrole-2,5-dione?
The InChIKey is OEPQQXBLVDIPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c1-4-2-6(11)10(7(4)12)3-5(8)9/h2,5H,3H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methylpyrrole-2,5-dione?
1-(2,2-difluoroethyl)-3-methylpyrrole-2,5-dione has a molecular weight of 175.13 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 115407342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).