Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZN7LB36Z85
EPA CompTox DTXSID4060028

Structure

InChI Key GQHWSLKNULCZGI-UHFFFAOYSA-N
Smiles FC(F)(F)OC=1C=CC=CC1
InChI
InChI=1/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5F3O
Molecular Weight 162.03
AlogP 2.59
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 9.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 456-55-3
NORMAN SUSDAT
FDA SRS ZN7LB36Z85
PubChem 68010