Keyword(s): Human Metabolites
Molecule Category Free-form
UNII A2YCF0YUHA
EPA CompTox DTXSID9061120

Structure

InChI Key XBNGYFFABRKICK-UHFFFAOYSA-N
Smiles FC=1C(F)=C(F)C(O)=C(F)C1F
InChI
InChI=1/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6HF5O
Molecular Weight 183.99
AlogP 2.09
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 771-61-9
NORMAN SUSDAT
FDA SRS A2YCF0YUHA
PubChem 13041