N-{2-[2,6-dichloro-4-(2,2,2-trifluoroethylthio)-phenoxy]-ethyl}-N-(propyl)-amine

HCID 13672176

Basic information

Standard SMILES
CCCNCCOc1c(Cl)cc(SCC(F)(F)F)cc1Cl
InChIKey
SVPSHJYWRLYEJE-UHFFFAOYSA-N
Molecular formula
C13H16Cl2F3NOS
Average molar mass
362.2 g/mol

Names & identifiers

Preferred name
N-{2-[2,6-dichloro-4-(2,2,2-trifluoroethylthio)-phenoxy]-ethyl}-N-(propyl)-amine
IUPAC
N-[2-[2,6-dichloro-4-(2,2,2-trifluoroethylsulfanyl)phenoxy]ethyl]propan-1-amine

Names & synonyms

N-{2-[2,6-dichloro-4-(2,2,2-trifluoroethylthio)-phenoxy]-ethyl}-N-(propyl)-amineSCHEMBL10801332N-{2-[2,6-dichloro-4-(2,2,2-trifluoroethylthio)-phenoxy]-ethyl}-N-(propyl)amine

Database identifiers

PubChem CID
13672176

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
46.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
21

Related reactions

3 records

Compound notes

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