Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 837H3TP46U
EPA CompTox DTXSID20188995

Structure

InChI Key XJSRKJAHJGCPGC-UHFFFAOYSA-N
Smiles FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C6HF13/c7-1(8)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)19/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H1F13
Molecular Weight 319.99
AlogP 4.36
Number of Rotational Bond 4.0
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 355-37-3
NORMAN SUSDAT
FDA SRS 837H3TP46U
PubChem 67730
ChemSpider 61049.0