Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5MF7TJQ3P7
EPA CompTox DTXSID0041696

Structure

InChI Key YYXWJNBPHDUWJP-UHFFFAOYSA-N
Smiles O=C(C(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C4F8O/c5-1(13)2(6,7)3(8,9)4(10,11)12

Physicochemical Descriptors

Property Name Value
Molecular Formula C4F8O1
Molecular Weight 215.98
AlogP 2.32
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 335-42-2
NORMAN SUSDAT
FDA SRS 5MF7TJQ3P7
PubChem 67632
ChemSpider 60951.0