Structure

InChI Key YRZFHTRSHNGOSR-UHFFFAOYSA-N
Smiles FB(F)F.NCC1=CC=CC=C1
InChI
InChI=1S/C7H9N.BF3/c8-6-7-4-2-1-3-5-7;2-1(3)4/h1-5H,6,8H2;

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9BF3N
Molecular Weight 175.08
AlogP 2.03
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 26.02
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 696-99-1
NORMAN SUSDAT