4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate

C11H16F3NO4 — CID 60705855

IUPAC4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO4/c1-2-18-9(16)8-3-5-15(6-4-8)10(17)19-7-11(12,13)14/h8H,2-7H2,1H3
InChIKeyCZKMJPKEHLUXII-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.96
Rot. Bonds3

About 4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate

4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate (PubChem CID 60705855) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate
PubChem CID60705855
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO4/c1-2-18-9(16)8-3-5-15(6-4-8)10(17)19-7-11(12,13)14/h8H,2-7H2,1H3
InChIKeyCZKMJPKEHLUXII-UHFFFAOYSA-N
XLogP1.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate?
The IUPAC name of 4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate (CID 60705855) is 4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate?
The canonical SMILES for 4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate is CCOC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate?
The InChIKey is CZKMJPKEHLUXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c1-2-18-9(16)8-3-5-15(6-4-8)10(17)19-7-11(12,13)14/h8H,2-7H2,1H3.
What are the key properties of 4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate?
4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate has a molecular weight of 283.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate is sourced from PubChem (CID 60705855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).