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

Structure

InChI Key PLXBWBKXCKSJRL-UHFFFAOYSA-N
Smiles FC(F)(C(F)(F)CC=O)C(F)(F)C(F)(F)F
InChI
InChI=1S/C6H3F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h2H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3F9O1
Molecular Weight 262.0
AlogP 3.04
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 17.07
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 135984-67-7
NORMAN SUSDAT
PubChem 10422795
ChemSpider 8598224.0