2,3,4,5,6-Pentafluorobenzyl Alcohol

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.

Benzyl alcohols

Organic compounds

Benzenoids

Benzene and substituted derivatives

Benzyl alcohols

Calculated Property

kind Value Source
logP 1.52 ALOGPS
logS -2.6 ALOGPS
Water Solubility 4.81e-01 g/l ALOGPS
logP 1.92 ChemAxon
IUPAC Name (pentafluorophenyl)methanol ChemAxon
Traditional IUPAC Name pentafluorobenzyl alcohol ChemAxon
Molecular Weight 198.0901 ChemAxon
Monoisotopic Weight 198.010405743 ChemAxon
SMILES OCC1=C(F)C(F)=C(F)C(F)=C1F ChemAxon
Molecular Formula C7H3F5O ChemAxon
InChI InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2 ChemAxon
InChIKey InChIKey=PGJYYCIOYBZTPU-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 20.23 ChemAxon
Refractivity 33.96 ChemAxon
Polarizability 12.41 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 13.68 ChemAxon
pKa (strongest basic) -3.4 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Alcohol dehydrogenase 1C : in Human