2,2,2-trifluoroethyl 2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetate

C14H20F3NO3 — CID 164750850

IUPAC2,2,2-trifluoroethyl 2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetate
SMILESO=C(OCC(F)(F)F)C(=O)N1CCCCC1C1CCCC1
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)9-21-13(20)12(19)18-8-4-3-7-11(18)10-5-1-2-6-10/h10-11H,1-9H2
InChIKeySWUWREQBAWZRGT-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.66
Rot. Bonds2

About 2,2,2-trifluoroethyl 2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetate

2,2,2-trifluoroethyl 2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetate (PubChem CID 164750850) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetate
PubChem CID164750850
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name2,2,2-trifluoroethyl 2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetate
SMILESO=C(OCC(F)(F)F)C(=O)N1CCCCC1C1CCCC1
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)9-21-13(20)12(19)18-8-4-3-7-11(18)10-5-1-2-6-10/h10-11H,1-9H2
InChIKeySWUWREQBAWZRGT-UHFFFAOYSA-N
XLogP2.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetate?
The IUPAC name of 2,2,2-trifluoroethyl 2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetate (CID 164750850) is 2,2,2-trifluoroethyl 2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetate is O=C(OCC(F)(F)F)C(=O)N1CCCCC1C1CCCC1.
What is the InChIKey of 2,2,2-trifluoroethyl 2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetate?
The InChIKey is SWUWREQBAWZRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c15-14(16,17)9-21-13(20)12(19)18-8-4-3-7-11(18)10-5-1-2-6-10/h10-11H,1-9H2.
What are the key properties of 2,2,2-trifluoroethyl 2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetate?
2,2,2-trifluoroethyl 2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetate has a molecular weight of 307.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetate is sourced from PubChem (CID 164750850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).