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

C9H8F3NO2 — CID 106210530

IUPAC3-methyl-1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(C2(C(F)(F)F)CC2)C1=O
InChIInChI=1S/C9H8F3NO2/c1-5-4-6(14)13(7(5)15)8(2-3-8)9(10,11)12/h4H,2-3H2,1H3
InChIKeyACELMGFCPHSPIL-UHFFFAOYSA-N
MW219.16 g/mol
LogP1.40
Rot. Bonds1

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

3-methyl-1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione (PubChem CID 106210530) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 3-methyl-1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione
PubChem CID106210530
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name3-methyl-1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(C2(C(F)(F)F)CC2)C1=O
InChIInChI=1S/C9H8F3NO2/c1-5-4-6(14)13(7(5)15)8(2-3-8)9(10,11)12/h4H,2-3H2,1H3
InChIKeyACELMGFCPHSPIL-UHFFFAOYSA-N
XLogP1.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.40
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-Methyl-1-(trifluoromethyl)pyrrole-2,5-dione
CID 174449567
3-Methyl-1-(4,4,4-trifluorobutan-2-yl)pyrrole-2,5-dione
CID 105927745
1-[1-(Trifluoromethyl)cyclopropyl]pyrrole-2,5-dione
CID 106210532
1-(1,1-Difluoropropan-2-yl)-3-methylpyrrole-2,5-dione
CID 130892746
3-Methyl-1-(2-methylbutan-2-yl)pyrrole-2,5-dione
CID 43167741
1-Tert-butyl-3-methylpyrrole-2,5-dione
CID 43346043
3-Methyl-1-(1-methylcyclopropyl)pyrrole-2,5-dione
CID 116191092

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione (CID 106210530) is 3-methyl-1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione is CC1=CC(=O)N(C2(C(F)(F)F)CC2)C1=O.
What is the InChIKey of 3-methyl-1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione?
The InChIKey is ACELMGFCPHSPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-5-4-6(14)13(7(5)15)8(2-3-8)9(10,11)12/h4H,2-3H2,1H3.
What are the key properties of 3-methyl-1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione?
3-methyl-1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione has a molecular weight of 219.16 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione is sourced from PubChem (CID 106210530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).