Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5BXU89U35Q
EPA CompTox DTXSID10191317

Structure

InChI Key FDGCJTUAVVJFMB-UHFFFAOYSA-N
Smiles O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)F
InChI
InChI=1S/C6F10O2/c7-1(17)3(9,10)5(13,14)6(15,16)4(11,12)2(8)18

Physicochemical Descriptors

Property Name Value
Molecular Formula C6F10O2
Molecular Weight 293.97
AlogP 2.52
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 34.14
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 37881-62-2
NORMAN SUSDAT
FDA SRS 5BXU89U35Q
PubChem 123466
ChemSpider 110062.0