1'-(2,2,2-trifluoroacetyl)spiro[indene-1,4'-piperidin]-3(2H)-one

HCID 19366992

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 159634-60-3
Standard SMILES: O=C1CC2(CCN(C(=O)C(F)(F)F)CC2)c2ccccc21
InChIKey: WUUFMAQPKIGSEK-UHFFFAOYSA-N
Molecular formula: C15H14F3NO2
Average molar mass: 297.27 g/mol
Monoisotopic mass: 297.09766335

Names & identifiers

Preferred name: 1'-(2,2,2-trifluoroacetyl)spiro[indene-1,4'-piperidin]-3(2H)-one
IUPAC: 1'-(2,2,2-trifluoroacetyl)spiro[2H-indene-3,4'-piperidine]-1-one

Names & synonyms

1'-(2,2,2-trifluoroacetyl)spiro[indene-1,4'-piperidin]-3(2H)-oneSCHEMBL1572566DTXSID001161500159634-60-31'-(Trifluoroacetyl)spiro[indene-1,4'-piperidin]-3(2H)-one1a(2)-(2,2,2-Trifluoroacetyl)spiro[1H-indene-1,4a(2)-piperidin]-3(2H)-one

Database identifiers

CAS: 159634-60-3
PubChem CID: 19366992
DTXSID: DTXSID001161500

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 21
Formal charge: 0
Complexity: 452

Related reactions

7 records

New reaction record

HRID 12393As productuspto-grants-2010_06

HRID 12394As reactantuspto-grants-2010_06

HRID 308306As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1221765As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2192223As productuspto-grants-2012_12

HRID 2192224As reactantuspto-grants-2012_12

HRID 2320310As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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