(2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate

C11H13F3N2O4 — CID 71744697

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate
SMILESO=C1CCC(=O)N1OC(=O)N1CCCCC1C(F)(F)F
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)7-3-1-2-6-15(7)10(19)20-16-8(17)4-5-9(16)18/h7H,1-6H2
InChIKeyCHGZJFFLOPTVFS-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.60
Rot. Bonds1

About (2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate

(2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate (PubChem CID 71744697) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate
PubChem CID71744697
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate
SMILESO=C1CCC(=O)N1OC(=O)N1CCCCC1C(F)(F)F
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)7-3-1-2-6-15(7)10(19)20-16-8(17)4-5-9(16)18/h7H,1-6H2
InChIKeyCHGZJFFLOPTVFS-UHFFFAOYSA-N
XLogP1.60
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
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 (2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate (CID 71744697) is (2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate is O=C1CCC(=O)N1OC(=O)N1CCCCC1C(F)(F)F.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate?
The InChIKey is CHGZJFFLOPTVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c12-11(13,14)7-3-1-2-6-15(7)10(19)20-16-8(17)4-5-9(16)18/h7H,1-6H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate has a molecular weight of 294.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 71744697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).