Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2U2H8XES7X
EPA CompTox DTXSID0059908

Structure

InChI Key AURYBMCZYGIOJH-UHFFFAOYSA-N
Smiles CCCCCC(=O)F
InChI
InChI=1S/C6H11FO/c1-2-3-4-5-6(7)8/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11F1O1
Molecular Weight 118.08
AlogP 2.06
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 17.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 372-80-5
NORMAN SUSDAT
FDA SRS 2U2H8XES7X
PubChem 67796
ChemSpider 61113.0