3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione

C8H8F3NO2 — CID 118342067

IUPAC3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CC(F)(F)F)C1=O
InChIInChI=1S/C8H8F3NO2/c1-4-5(2)7(14)12(6(4)13)3-8(9,10)11/h3H2,1-2H3
InChIKeyWERIIEDWDXADBX-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.25
Rot. Bonds1

About 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione

3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione (PubChem CID 118342067) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione
PubChem CID118342067
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CC(F)(F)F)C1=O
InChIInChI=1S/C8H8F3NO2/c1-4-5(2)7(14)12(6(4)13)3-8(9,10)11/h3H2,1-2H3
InChIKeyWERIIEDWDXADBX-UHFFFAOYSA-N
XLogP1.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 12205148
1-butyl-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 23335118
3,4-Dimethyl-1-(2-methylpropyl)pyrrole-2,5-dione
CID 76319691
3-methyl-1-(3,3,3-trifluoropropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 60977138
N,N-diethyl-2-(trifluoromethyl)prop-2-enamide
CID 134988475
N,N-dibutyl-3-methyl-2-(trifluoromethyl)but-2-enamide
CID 15472878
N,N-Diethyl-3,3-difluoro-2-(trifluoromethyl)prop-2-enamide
CID 12541730
1-Methyl-3-(trifluoromethyl)pyrrole-2,5-dione
CID 18513440
4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one
CID 118376936
N-ethyl-2-methyl-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
CID 134463191
2-methyl-N-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoropropanoyl)prop-2-enamide
CID 134465597
3-Methyl-1-(2,3,3-trifluoropropyl)pyrrole-2,5-dione
CID 175371733

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione (CID 118342067) is 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione is CC1=C(C)C(=O)N(CC(F)(F)F)C1=O.
What is the InChIKey of 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione?
The InChIKey is WERIIEDWDXADBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-4-5(2)7(14)12(6(4)13)3-8(9,10)11/h3H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione?
3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione has a molecular weight of 207.15 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione is sourced from PubChem (CID 118342067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).