Synonyms
Status
Molecule Category Free-form
UNII 0285I2MVUA
EPA CompTox DTXSID70226977

Structure

InChI Key CBSRETZPFOBWNG-UCORVYFPSA-N
Smiles N[C@H]1C[C@@H](C(=O)O)CC1=C(F)F
InChI
InChI=1S/C7H9F2NO2/c8-6(9)4-1-3(7(11)12)2-5(4)10/h3,5H,1-2,10H2,(H,11,12)/t3-,5-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9F2NO2
Molecular Weight 177.15
AlogP 0.96
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 63.32
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 12.0

Related Entries

Cross References

Resources Reference
CAS NUMBER 760947-97-5
ChEMBL CHEMBL146927
FDA SRS 0285I2MVUA
Guide to Pharmacology 8284
PubChem 71252718
SureChEMBL SCHEMBL2408171
CAS NUMBER 760947-97-5
ChEMBL CHEMBL4297273
FDA SRS 0285I2MVUA
Guide to Pharmacology 8284
PubChem 71252718
SureChEMBL SCHEMBL14687433