2′,6′-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.

Biphenyls and derivatives

Organic compounds

Benzenoids

Benzene and substituted derivatives

Biphenyls and derivatives

Calculated Property

kind Value Source
logP 3.41 ALOGPS
logS -3.9 ALOGPS
Water Solubility 2.88e-02 g/l ALOGPS
logP 3.56 ChemAxon
IUPAC Name 4-(2,6-difluorophenyl)benzoic acid ChemAxon
Traditional IUPAC Name 4-(2,6-difluorophenyl)benzoic acid ChemAxon
Molecular Weight 234.1982 ChemAxon
Monoisotopic Weight 234.04923591 ChemAxon
SMILES OC(=O)C1=CC=C(C=C1)C1=C(F)C=CC=C1F ChemAxon
Molecular Formula C13H8F2O2 ChemAxon
InChI InChI=1S/C13H8F2O2/c14-10-2-1-3-11(15)12(10)8-4-6-9(7-5-8)13(16)17/h1-7H,(H,16,17) ChemAxon
InChIKey InChIKey=CWWIIKLXUPZDOG-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 37.3 ChemAxon
Refractivity 58.88 ChemAxon
Polarizability 21.49 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 3.92 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon