Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LR6CDA8ZPD
EPA CompTox DTXSID40195621

Structure

InChI Key OVRWUZYZECPJOB-UHFFFAOYSA-N
Smiles NCC(F)F
InChI
InChI=1S/C2H5F2N/c3-2(4)1-5/h2H,1,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H5F2N1
Molecular Weight 81.04
AlogP 0.21
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 26.02
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 430-67-1
NORMAN SUSDAT
FDA SRS LR6CDA8ZPD
PubChem 136274
ChemSpider 120048.0