Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UM28MH9A4G
EPA CompTox DTXSID9059913

Structure

InChI Key BOZRBIJGLJJPRF-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C#N
InChI
InChI=1S/C4F7N/c5-2(6,1-12)3(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
Number of Rotational Bond 1.0
Polar Surface Area 23.79
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 375-00-8
NORMAN SUSDAT
FDA SRS UM28MH9A4G
PubChem 67808
ChemSpider 61124.0