HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

Ethyl 2-(3,3-bis(4-fluorophenyl)-2-oxopiperidin-1-yl)acetate

HCID 67359841
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)CN1CCCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O
InChIKey
WENQIVDYWBIOMI-UHFFFAOYSA-N
Molecular formula
C21H21F2NO3
Average molar mass
373.4 g/mol

Names & identifiers

Preferred name
Ethyl 2-(3,3-bis(4-fluorophenyl)-2-oxopiperidin-1-yl)acetate
IUPAC
ethyl 2-[3,3-bis(4-fluorophenyl)-2-oxopiperidin-1-yl]acetate

Names & synonyms

SCHEMBL2312714WENQIVDYWBIOMI-UHFFFAOYSA-Nethyl 2-(3,3-bis(4-fluorophenyl)-2-oxopiperidin-1-yl)acetate

Database identifiers

PubChem CID
67359841

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Formal charge
0
Complexity
504

Related reactions

6 records
New reaction record
HRID 802039 reaction equation
HRID 802039As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1667170 reaction equation
HRID 1667170As productuspto-grants-2011_10
HRID 1667171 reaction equation
HRID 1667171As reactantuspto-grants-2011_10
HRID 2340173 reaction equation
HRID 2340173As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)
HRID 2408844 reaction equation
HRID 2408844As productuspto-grants-2014_08
HRID 2408845 reaction equation
HRID 2408845As reactantuspto-grants-2014_08

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes