Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7TE2N3F3NB
EPA CompTox DTXSID7075341

Structure

InChI Key ONUFSRWQCKNVSL-UHFFFAOYSA-N
Smiles FC=1C(F)=C(F)C(=C(F)C1F)C=2C(F)=C(F)C(F)=C(F)C2F
InChI
InChI=1/C12F10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16

Physicochemical Descriptors

Property Name Value
Molecular Formula C12F10
Molecular Weight 333.98
AlogP 4.74
Number of Rotational Bond 1.0
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 434-90-2
NORMAN SUSDAT
FDA SRS 7TE2N3F3NB
PubChem 67949