N-(4-chloro-3-fluorophenyl)-2,2,2-trifluoroacetamide

HCID 63374789

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(Nc1ccc(Cl)c(F)c1)C(F)(F)F
InChIKey: YMGGSGUQDWLEOT-UHFFFAOYSA-N
Molecular formula: C8H4ClF4NO
Average molar mass: 241.57 g/mol

Names & identifiers

Preferred name: N-(4-chloro-3-fluorophenyl)-2,2,2-trifluoroacetamide
IUPAC: N-(4-chloro-3-fluorophenyl)-2,2,2-trifluoroacetamide

Names & synonyms

1094106-61-2N-(4-chloro-3-fluorophenyl)-2,2,2-trifluoroacetamideN-(4-Chloro-3-fluoro-phenyl)-2,2,2-trifluoro-acetamideMFCD21374720N-(4-Chloro-3-fluoro-phenyl)-2,2,2-trifluoroacetamideSCHEMBL478878SCHEMBL29486454AKOS012680734SS-5240SY478737CS-0311900C91475

Show more names

F720279Acetamide, N-(4-chloro-3-fluorophenyl)-2,2,2-trifluoro-

Database identifiers

PubChem CID: 63374789

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 245

Related reactions

3 records

New reaction record

HRID 318282As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 384602As productuspto-grants-2013_02

HRID 2188588As productuspto-grants-2012_12

Compound notes

Loading…