5-cyclopropyl-3-[2-ethyl-6-methyl-4-(1,1,2-trifluoroethoxy)phenyl]-5-methylpyrrolidine-2,4-dione

C19H22F3NO3 — CID 67133686

IUPAC5-cyclopropyl-3-[2-ethyl-6-methyl-4-(1,1,2-trifluoroethoxy)phenyl]-5-methylpyrrolidine-2,4-dione
SMILESCCc1cc(OC(F)(F)CF)cc(C)c1C1C(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C19H22F3NO3/c1-4-11-8-13(26-19(21,22)9-20)7-10(2)14(11)15-16(24)18(3,12-5-6-12)23-17(15)25/h7-8,12,15H,4-6,9H2,1-3H3,(H,23,25)
InChIKeyCHGSPQOEBCHIMK-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.45
Rot. Bonds6

About 5-cyclopropyl-3-[2-ethyl-6-methyl-4-(1,1,2-trifluoroethoxy)phenyl]-5-methylpyrrolidine-2,4-dione

5-cyclopropyl-3-[2-ethyl-6-methyl-4-(1,1,2-trifluoroethoxy)phenyl]-5-methylpyrrolidine-2,4-dione (PubChem CID 67133686) has the molecular formula C19H22F3NO3 and a molecular weight of 369.38 g/mol. Its IUPAC name is 5-cyclopropyl-3-[2-ethyl-6-methyl-4-(1,1,2-trifluoroethoxy)phenyl]-5-methylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-3-[2-ethyl-6-methyl-4-(1,1,2-trifluoroethoxy)phenyl]-5-methylpyrrolidine-2,4-dione
PubChem CID67133686
Molecular FormulaC19H22F3NO3
Molecular Weight369.38 g/mol
Exact Mass369.16
IUPAC Name5-cyclopropyl-3-[2-ethyl-6-methyl-4-(1,1,2-trifluoroethoxy)phenyl]-5-methylpyrrolidine-2,4-dione
SMILESCCc1cc(OC(F)(F)CF)cc(C)c1C1C(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C19H22F3NO3/c1-4-11-8-13(26-19(21,22)9-20)7-10(2)14(11)15-16(24)18(3,12-5-6-12)23-17(15)25/h7-8,12,15H,4-6,9H2,1-3H3,(H,23,25)
InChIKeyCHGSPQOEBCHIMK-UHFFFAOYSA-N
XLogP3.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[2-ethyl-6-methyl-4-(1,1,2-trifluoroethoxy)phenyl]-5-methylpyrrolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-3-[2-ethyl-6-methyl-4-(1,1,2-trifluoroethoxy)phenyl]-5-methylpyrrolidine-2,4-dione (CID 67133686) is 5-cyclopropyl-3-[2-ethyl-6-methyl-4-(1,1,2-trifluoroethoxy)phenyl]-5-methylpyrrolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-3-[2-ethyl-6-methyl-4-(1,1,2-trifluoroethoxy)phenyl]-5-methylpyrrolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-3-[2-ethyl-6-methyl-4-(1,1,2-trifluoroethoxy)phenyl]-5-methylpyrrolidine-2,4-dione is CCc1cc(OC(F)(F)CF)cc(C)c1C1C(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 5-cyclopropyl-3-[2-ethyl-6-methyl-4-(1,1,2-trifluoroethoxy)phenyl]-5-methylpyrrolidine-2,4-dione?
The InChIKey is CHGSPQOEBCHIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO3/c1-4-11-8-13(26-19(21,22)9-20)7-10(2)14(11)15-16(24)18(3,12-5-6-12)23-17(15)25/h7-8,12,15H,4-6,9H2,1-3H3,(H,23,25).
What are the key properties of 5-cyclopropyl-3-[2-ethyl-6-methyl-4-(1,1,2-trifluoroethoxy)phenyl]-5-methylpyrrolidine-2,4-dione?
5-cyclopropyl-3-[2-ethyl-6-methyl-4-(1,1,2-trifluoroethoxy)phenyl]-5-methylpyrrolidine-2,4-dione has a molecular weight of 369.38 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[2-ethyl-6-methyl-4-(1,1,2-trifluoroethoxy)phenyl]-5-methylpyrrolidine-2,4-dione is sourced from PubChem (CID 67133686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).