Structure

InChI Key DBGIVFWFUFKIQN-UHFFFAOYSA-N
Smile CCNC(C)Cc1cccc(C(F)(F)F)c1
InChI
InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H16F3N
Molecular Weight 231.26
AlogP 3.25
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Epilepsies, Myoclonic 3 D004831 ClinicalTrials
Spasms, Infantile 2 D013036 ClinicalTrials
Cocaine-Related Disorders 1 D019970 ClinicalTrials

Related Entries

MCS

Salt

Cross References

Resources Reference
CAS NUMBER 458-24-2
ChEBI 5000
ChEMBL CHEMBL87493
DrugBank DB00574
DrugCentral 1150
EPA CompTox DTXSID4023044
FDA SRS 2DS058H2CF
Guide to Pharmacology 4613
KEGG C06996
PharmGKB PA164747936
PubChem 3337
SureChEMBL SCHEMBL16215