Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9Y9SXH8QN7
EPA CompTox DTXSID4074855

Structure

InChI Key GRVMOMUDALILLH-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(C(=O)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C7F14O/c8-2(4(10,11)12,5(13,14)15)1(22)3(9,6(16,17)18)7(19,20)21

Physicochemical Descriptors

Property Name Value
Molecular Formula C7F14O1
Molecular Weight 365.97
AlogP 4.22
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 813-44-5
NORMAN SUSDAT
FDA SRS 9Y9SXH8QN7
PubChem 69941
ChemSpider 63134.0