Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90505110

Structure

InChI Key AASDJASZOZGYMM-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(C#N)C(F)(F)F
InChI
InChI=1S/C4F7N/c5-2(1-12,3(6,7)8)4(9,10)11

Physicochemical Descriptors

Property Name Value
Molecular Formula C4F7N1
Molecular Weight 194.99
AlogP 2.34
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 42532-60-5
NORMAN SUSDAT
PubChem 12633773
ChemSpider 10324108.0