N-{[4-(Trifluoromethoxy)phenyl]methyl}acetamide

HCID 44542707

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 719277-21-1
Standard SMILES: CC(=O)NCc1ccc(OC(F)(F)F)cc1
InChIKey: RFWGNKDRZSVYKP-UHFFFAOYSA-N
Molecular formula: C10H10F3NO2
Average molar mass: 233.19 g/mol
Monoisotopic mass: 233.06636322

Names & identifiers

Preferred name: N-{[4-(Trifluoromethoxy)phenyl]methyl}acetamide
IUPAC: N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide

Names & synonyms

719277-21-1N-{[4-(Trifluoromethoxy)phenyl]methyl}acetamideN-(4-(trifluoromethoxy)benzyl)acetamideN-[4-(Trifluoromethoxy)benzyl]acetamideSCHEMBL3966634DTXSID10659285AKOS009101814DB-298392

Database identifiers

CAS: 719277-21-1
PubChem CID: 44542707
DTXSID: DTXSID10659285
Nikkaji: J2.779.395I

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 235

Related reactions

6 records

New reaction record

HRID 99245As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 819981As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1725218As productuspto-grants-2009_02

HRID 1725219As reactantuspto-grants-2009_02

HRID 2374641As productuspto-grants-2008_12

HRID 2374642As reactantuspto-grants-2008_12

Compound notes

Loading…