Structure

InChI Key FTAFFTSOJBRORR-UHFFFAOYSA-N
Smiles C[N+](C)(CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC([O-])=O
InChI
InChI=1S/C15H15F15N2O3/c1-32(2,6-7(33)34)5-3-4-31-8(35)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h3-6H2,1-2H3,(H-,31,33,34,35)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H15F15N2O3
Molecular Weight 556.08
AlogP 3.67
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 72.72
Heavy Atoms 35.0

Cross References

Resources Reference
CAS NUMBER 90179-39-8
NORMAN SUSDAT