Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

3-halobenzoic acids and derivatives

Organic compounds


Benzene and substituted derivatives

Benzoic acids and derivatives

Calculated Property

kind Value Source
logP 1.31 ALOGPS
logS -2.9 ALOGPS
Water Solubility 3.09e-01 g/l ALOGPS
logP 1.24 ChemAxon
IUPAC Name 2,3,5,6-tetrafluoro-4-methoxybenzamide ChemAxon
Traditional IUPAC Name 2,3,5,6-tetrafluoro-4-methoxybenzamide ChemAxon
Molecular Weight 223.1244 ChemAxon
Monoisotopic Weight 223.025641229 ChemAxon
SMILES COC1=C(F)C(F)=C(C(N)=O)C(F)=C1F ChemAxon
Molecular Formula C8H5F4NO2 ChemAxon
InChI InChI=1S/C8H5F4NO2/c1-15-7-5(11)3(9)2(8(13)14)4(10)6(7)12/h1H3,(H2,13,14) ChemAxon
Polar Surface Area (PSA) 52.32 ChemAxon
Refractivity 42.47 ChemAxon
Polarizability 15.8 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 10.49 ChemAxon
pKa (strongest basic) -3 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Galectin-3 : in Human