3-Cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-pentafluoropropanoylpyrazole

HCID 18780732
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C(=O)C(F)(F)C(F)(F)F
InChIKey
DKYUJVVVQFWSNU-UHFFFAOYSA-N
Molecular formula
C14H3Cl2F8N3O
Average molar mass
452.1 g/mol

Names & identifiers

Preferred name
3-Cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-pentafluoropropanoylpyrazole
IUPAC
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(2,2,3,3,3-pentafluoropropanoyl)pyrazole-3-carbonitrile

Names & synonyms

3-Cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-pentafluoropropanoylpyrazoleSCHEMBL6554036

Database identifiers

PubChem CID
18780732

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
58.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
3
Heavy atoms
28

Related reactions

2 records
New reaction record

Linked notes

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