1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione

C6H4F3NO2 — CID 18513440

IUPAC1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione
SMILESCN1C(=O)C=C(C(F)(F)F)C1=O
InChIInChI=1S/C6H4F3NO2/c1-10-4(11)2-3(5(10)12)6(7,8)9/h2H,1H3
InChIKeyPXHWHXFWEHWBIA-UHFFFAOYSA-N
MW179.10 g/mol
LogP0.47
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione

1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione (PubChem CID 18513440) has the molecular formula C6H4F3NO2 and a molecular weight of 179.10 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione
PubChem CID18513440
Molecular FormulaC6H4F3NO2
Molecular Weight179.10 g/mol
Exact Mass179.02
IUPAC Name1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione
SMILESCN1C(=O)C=C(C(F)(F)F)C1=O
InChIInChI=1S/C6H4F3NO2/c1-10-4(11)2-3(5(10)12)6(7,8)9/h2H,1H3
InChIKeyPXHWHXFWEHWBIA-UHFFFAOYSA-N
XLogP0.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 50.47
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
1-(2,2,3,3-Tetrafluoropropyl)pyrrole-2,5-dione
CID 19821163
3-Fluoro-1-methylpyrrole-2,5-dione
CID 19830283
1-(3,3,3-Trifluoropropyl)pyrrole-2,5-dione
CID 60977137
3,4-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione
CID 118342067
4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one
CID 118376936
1-(2,2,3,3,3-Pentafluoropropyl)pyrrole-2,5-dione
CID 139663612
4-(fluoromethyl)-1-methyl-2H-pyrrol-5-one
CID 163509646
3-Methyl-1-(trifluoromethyl)pyrrole-2,5-dione
CID 174449567

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione?
The IUPAC name of 1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione (CID 18513440) is 1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione is CN1C(=O)C=C(C(F)(F)F)C1=O.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione?
The InChIKey is PXHWHXFWEHWBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2/c1-10-4(11)2-3(5(10)12)6(7,8)9/h2H,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione?
1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione has a molecular weight of 179.10 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)pyrrole-2,5-dione is sourced from PubChem (CID 18513440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).