Synonyms
Status
Molecule Category Free-form
UNII 06CA9QMG6Z
EPA CompTox DTXSID301336354

Structure

InChI Key HRFIMCJTDKEPPV-BYPYZUCNSA-N
Smiles CC(C)(C[C@H](N)C(=O)O)C(F)F
InChI
InChI=1S/C7H13F2NO2/c1-7(2,6(8)9)3-4(10)5(11)12/h4,6H,3,10H2,1-2H3,(H,11,12)/t4-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H13F2NO2
Molecular Weight 181.18
AlogP 1.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 63.32
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 2095886-80-7
ChEMBL CHEMBL4650303
FDA SRS 06CA9QMG6Z