Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30880534

Structure

InChI Key FMAZHALGIPCISB-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(Cl)=O
InChI
InChI=1S/C10H2ClF17O/c11-2(29)1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)28/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H2Cl1F17O1
Molecular Weight 495.95
AlogP 6.15
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 17.07
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 64018-23-1
NORMAN SUSDAT
PubChem 3017475
ChemSpider 2285208.0