3-(2-chloro-6-fluorophenyl)-5-[3-chloro-4-(4-trifluoromethoxyphenoxymethyl)phenyl]-1-methyl-1H-1,2,4-triazole

HCID 21463636

Basic information

Standard SMILES
Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(COc2ccc(OC(F)(F)F)cc2)c(Cl)c1
InChIKey
OAOVUYGSAGTIMI-UHFFFAOYSA-N
Molecular formula
C23H15Cl2F4N3O2
Average molar mass
512.3 g/mol

Names & identifiers

Preferred name
3-(2-chloro-6-fluorophenyl)-5-[3-chloro-4-(4-trifluoromethoxyphenoxymethyl)phenyl]-1-methyl-1H-1,2,4-triazole
IUPAC
3-(2-chloro-6-fluorophenyl)-5-[3-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-1-methyl-1,2,4-triazole

Names & synonyms

3-(2-chloro-6-fluorophenyl)-5-[3-chloro-4-(4-trifluoromethoxyphenoxymethyl)phenyl]-1-methyl-1H-1,2,4-triazoleSCHEMBL83047873-(2-chloro-6-fluorophenyl)-5-[3-chloro-4(4-trifluoromethoxyphenoxymethyl)phenyl]-1-methyl-1H-1,2,4-triazole

Database identifiers

PubChem CID
21463636

Properties

Computed structural properties

XLogP
7.3
Topological polar surface area
49.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
34

Related reactions

3 records

Compound notes

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