Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00825593

Structure

InChI Key LTXPBIMCWINHOI-UHFFFAOYSA-N
Smiles OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChI
InChI=1S/C7H2F14O/c8-1(9)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)22/h1,22H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H2F14O1
Molecular Weight 367.99
AlogP 4.01
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 20.23
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 7098-02-4
NORMAN SUSDAT
PubChem 71404768
ChemSpider 57551975.0