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

C8H8F3NO2 — CID 60977138

IUPAC3-methyl-1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C8H8F3NO2/c1-5-4-6(13)12(7(5)14)3-2-8(9,10)11/h4H,2-3H2,1H3
InChIKeyNCCCPWSGEJKVTP-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.25
Rot. Bonds2

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

3-methyl-1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione (PubChem CID 60977138) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 3-methyl-1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione
PubChem CID60977138
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name3-methyl-1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C8H8F3NO2/c1-5-4-6(13)12(7(5)14)3-2-8(9,10)11/h4H,2-3H2,1H3
InChIKeyNCCCPWSGEJKVTP-UHFFFAOYSA-N
XLogP1.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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'}

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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
N-butyl-3-methyl-2,5-dihydro-2-pyrrolone
CID 13331586
N,N-diethyl-2-(trifluoromethyl)prop-2-enamide
CID 134988475
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-Allyl-3,4-dimethyl-pyrrol-2,5-dione
CID 20141232
N-(3-prenyl)-maleimide
CID 22472409
(2Z,4E)-N,N-dibutyl-2-(trifluoromethyl)hexa-2,4-dienamide
CID 15399693
1-Methyl-3-(trifluoromethyl)pyrrole-2,5-dione
CID 18513440

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione (CID 60977138) is 3-methyl-1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione is CC1=CC(=O)N(CCC(F)(F)F)C1=O.
What is the InChIKey of 3-methyl-1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione?
The InChIKey is NCCCPWSGEJKVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c1-5-4-6(13)12(7(5)14)3-2-8(9,10)11/h4H,2-3H2,1H3.
What are the key properties of 3-methyl-1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione?
3-methyl-1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione has a molecular weight of 207.15 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3,3,3-trifluoropropyl)pyrrole-2,5-dione is sourced from PubChem (CID 60977138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).