3,3-bis(trifluoromethyl)pyrrolidine-2,5-dione;1-methylimidazole

C10H9F6N3O2 — CID 174990780

IUPAC3,3-bis(trifluoromethyl)pyrrolidine-2,5-dione;1-methylimidazole
SMILESCn1ccnc1.O=C1CC(C(F)(F)F)(C(F)(F)F)C(=O)N1
InChIInChI=1S/C6H3F6NO2.C4H6N2/c7-5(8,9)4(6(10,11)12)1-2(14)13-3(4)15;1-6-3-2-5-4-6/h1H2,(H,13,14,15);2-4H,1H3
InChIKeyDGLJZOZNWBEUSV-UHFFFAOYSA-N
MW317.19 g/mol
LogP1.56
Rot. Bonds

About 3,3-bis(trifluoromethyl)pyrrolidine-2,5-dione;1-methylimidazole

3,3-bis(trifluoromethyl)pyrrolidine-2,5-dione;1-methylimidazole (PubChem CID 174990780) has the molecular formula C10H9F6N3O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is 3,3-bis(trifluoromethyl)pyrrolidine-2,5-dione;1-methylimidazole.

Molecular Properties

Compound Name3,3-bis(trifluoromethyl)pyrrolidine-2,5-dione;1-methylimidazole
PubChem CID174990780
Molecular FormulaC10H9F6N3O2
Molecular Weight317.19 g/mol
Exact Mass317.06
IUPAC Name3,3-bis(trifluoromethyl)pyrrolidine-2,5-dione;1-methylimidazole
SMILESCn1ccnc1.O=C1CC(C(F)(F)F)(C(F)(F)F)C(=O)N1
InChIInChI=1S/C6H3F6NO2.C4H6N2/c7-5(8,9)4(6(10,11)12)1-2(14)13-3(4)15;1-6-3-2-5-4-6/h1H2,(H,13,14,15);2-4H,1H3
InChIKeyDGLJZOZNWBEUSV-UHFFFAOYSA-N
XLogP1.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(trifluoromethyl)pyrrolidine-2,5-dione;1-methylimidazole?
The IUPAC name of 3,3-bis(trifluoromethyl)pyrrolidine-2,5-dione;1-methylimidazole (CID 174990780) is 3,3-bis(trifluoromethyl)pyrrolidine-2,5-dione;1-methylimidazole.
What is the SMILES notation for 3,3-bis(trifluoromethyl)pyrrolidine-2,5-dione;1-methylimidazole?
The canonical SMILES for 3,3-bis(trifluoromethyl)pyrrolidine-2,5-dione;1-methylimidazole is Cn1ccnc1.O=C1CC(C(F)(F)F)(C(F)(F)F)C(=O)N1.
What is the InChIKey of 3,3-bis(trifluoromethyl)pyrrolidine-2,5-dione;1-methylimidazole?
The InChIKey is DGLJZOZNWBEUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F6NO2.C4H6N2/c7-5(8,9)4(6(10,11)12)1-2(14)13-3(4)15;1-6-3-2-5-4-6/h1H2,(H,13,14,15);2-4H,1H3.
What are the key properties of 3,3-bis(trifluoromethyl)pyrrolidine-2,5-dione;1-methylimidazole?
3,3-bis(trifluoromethyl)pyrrolidine-2,5-dione;1-methylimidazole has a molecular weight of 317.19 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(trifluoromethyl)pyrrolidine-2,5-dione;1-methylimidazole is sourced from PubChem (CID 174990780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).