Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40881330

Structure

InChI Key ZCMKVKJEDNRBMG-UHFFFAOYSA-N
Smiles FC(F)(F)C(=O)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C6F12O/c7-2(5(13,14)15,1(19)3(8,9)10)4(11,12)6(16,17)18

Physicochemical Descriptors

Property Name Value
Molecular Formula C6F12O1
Molecular Weight 315.98
AlogP 3.59
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 93830-92-3
NORMAN SUSDAT
PubChem 13172592