Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LZ2D6NE3MV
EPA CompTox DTXSID30184726

Structure

InChI Key WNZGTRLARPEMIG-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C12F26/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38

Physicochemical Descriptors

Property Name Value
Molecular Formula C12F26
Molecular Weight 637.96
AlogP 8.46
Number of Rotational Bond 9.0
Heavy Atoms 38.0

Cross References

Resources Reference
CAS NUMBER 307-59-5
NORMAN SUSDAT
FDA SRS LZ2D6NE3MV
PubChem 78973
ChemSpider 71306.0