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

Structure

InChI Key BCZXDEBYEBQJCV-UHFFFAOYSA-N
Smiles OC(F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C7HF15O/c8-1(5(14,15)16,6(17,18)19)4(13,23)2(9,10)3(11,12)7(20,21)22/h23H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H1F15O1
Molecular Weight 385.98
AlogP 4.31
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.23
Heavy Atoms 23.0

Cross References

Resources Reference
NORMAN SUSDAT
ChemSpider 13835296.0