Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00379829

Structure

InChI Key SQQWEKUYKNKPOG-UHFFFAOYSA-N
Smiles C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7HClF12O/c8-1(21)3(11,12)5(15,16)7(19,20)6(17,18)4(13,14)2(9)10/h2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H1Cl1F12O1
Molecular Weight 363.95
AlogP 4.19
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 17.07
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 41405-35-0
NORMAN SUSDAT
PubChem 2776132
ChemSpider 2056454.0