1-cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione

C13H19F3N2O3 — CID 63829080

IUPAC1-cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCOCC(F)(F)F)C(=O)N1C1CCCC1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)8-21-6-5-17-10-7-11(19)18(12(10)20)9-3-1-2-4-9/h9-10,17H,1-8H2
InChIKeyZXPRHNIEOJTNIM-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.23
Rot. Bonds6

About 1-cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione

1-cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione (PubChem CID 63829080) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
PubChem CID63829080
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name1-cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCOCC(F)(F)F)C(=O)N1C1CCCC1
InChIInChI=1S/C13H19F3N2O3/c14-13(15,16)8-21-6-5-17-10-7-11(19)18(12(10)20)9-3-1-2-4-9/h9-10,17H,1-8H2
InChIKeyZXPRHNIEOJTNIM-UHFFFAOYSA-N
XLogP1.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione (CID 63829080) is 1-cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione is O=C1CC(NCCOCC(F)(F)F)C(=O)N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is ZXPRHNIEOJTNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c14-13(15,16)8-21-6-5-17-10-7-11(19)18(12(10)20)9-3-1-2-4-9/h9-10,17H,1-8H2.
What are the key properties of 1-cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione?
1-cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 308.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 63829080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).