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

C6H6F3NO2 — CID 101355880

IUPAC1-methyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(C(F)(F)F)C1=O
InChIInChI=1S/C6H6F3NO2/c1-10-4(11)2-3(5(10)12)6(7,8)9/h3H,2H2,1H3
InChIKeyOHGYWCUAZULNQJ-UHFFFAOYSA-N
MW181.11 g/mol
LogP0.55
Rot. Bonds

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

1-methyl-3-(trifluoromethyl)pyrrolidine-2,5-dione (PubChem CID 101355880) has the molecular formula C6H6F3NO2 and a molecular weight of 181.11 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
PubChem CID101355880
Molecular FormulaC6H6F3NO2
Molecular Weight181.11 g/mol
Exact Mass181.04
IUPAC Name1-methyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(C(F)(F)F)C1=O
InChIInChI=1S/C6H6F3NO2/c1-10-4(11)2-3(5(10)12)6(7,8)9/h3H,2H2,1H3
InChIKeyOHGYWCUAZULNQJ-UHFFFAOYSA-N
XLogP0.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(trifluoromethyl)pyrrolidine-2,5-dione (CID 101355880) is 1-methyl-3-(trifluoromethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)pyrrolidine-2,5-dione is CN1C(=O)CC(C(F)(F)F)C1=O.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)pyrrolidine-2,5-dione?
The InChIKey is OHGYWCUAZULNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO2/c1-10-4(11)2-3(5(10)12)6(7,8)9/h3H,2H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)pyrrolidine-2,5-dione?
1-methyl-3-(trifluoromethyl)pyrrolidine-2,5-dione has a molecular weight of 181.11 g/mol, XLogP of 0.55, 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)pyrrolidine-2,5-dione is sourced from PubChem (CID 101355880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).