Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90168022

Structure

InChI Key GYZZOEFAMMXSIK-UHFFFAOYSA-N
Smiles O=C(C1=CC=C(F)C=C1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1/C14H8F4O/c15-12-7-3-10(4-8-12)13(19)9-1-5-11(6-2-9)14(16,17)18/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H8F4O
Molecular Weight 268.05
AlogP 4.08
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 16574-52-0
NORMAN SUSDAT
PubChem 85496