Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K9NAY7JK97
EPA CompTox DTXSID1075141

Structure

InChI Key PCRSJGWFEMHHEW-UHFFFAOYSA-N
Smiles N#CC1=C(F)C(F)=C(C#N)C(F)=C1F
InChI
InChI=1/C8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11

Physicochemical Descriptors

Property Name Value
Molecular Formula C8F4N2
Molecular Weight 200.0
AlogP 1.99
Hydrogen Bond Acceptor 2.0
Polar Surface Area 47.58
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 1835-49-0
NORMAN SUSDAT
FDA SRS K9NAY7JK97
PubChem 15783