1-(2-(1-(3,5-Dimethoxyphenyl)ethylamino)-4-fluorophenyl)-2,2,2-trifluoroethanone

HCID 58707286

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc(OC)cc(C(C)Nc2cc(F)ccc2C(=O)C(F)(F)F)c1
InChIKey: ARZHSARBTCHDSV-UHFFFAOYSA-N
Molecular formula: C18H17F4NO3
Average molar mass: 371.3 g/mol

Names & identifiers

Preferred name: 1-(2-(1-(3,5-Dimethoxyphenyl)ethylamino)-4-fluorophenyl)-2,2,2-trifluoroethanone
IUPAC: 1-[2-[1-(3,5-dimethoxyphenyl)ethylamino]-4-fluorophenyl]-2,2,2-trifluoroethanone

Names & synonyms

1-(2-(1-(3,5-Dimethoxyphenyl)ethylamino)-4-fluorophenyl)-2,2,2-trifluoroethanoneSCHEMBL1748261

Database identifiers

PubChem CID: 58707286

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 462

Related reactions

10 records

New reaction record

HRID 938246As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1910531As reactantuspto-grants-2013_12

HRID 1910532As productuspto-grants-2013_12

HRID 1910544As reactantuspto-grants-2013_12

HRID 1910545As productuspto-grants-2013_12

HRID 2341416As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

HRID 2425973As reactantuspto-grants-2011_06

HRID 2425974As productuspto-grants-2011_06

Compound notes

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