(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.

Fluorobenzenes

Organic compounds

Benzenoids

Benzene and substituted derivatives

Halobenzenes

Calculated Property

kind Value Source
logP 2.49 ALOGPS
logS -3.9 ALOGPS
Water Solubility 2.26e-02 g/l ALOGPS
logP 2.95 ChemAxon
IUPAC Name 1-(3-carboximidoylbut-3-en-1-yl)-4-fluorobenzene ChemAxon
Traditional IUPAC Name 1-(3-carboximidoylbut-3-en-1-yl)-4-fluorobenzene ChemAxon
Molecular Weight 177.2181 ChemAxon
Monoisotopic Weight 177.095377594 ChemAxon
SMILES FC1=CC=C(CCC(=C)C=N)C=C1 ChemAxon
Molecular Formula C11H12FN ChemAxon
InChI InChI=1S/C11H12FN/c1-9(8-13)2-3-10-4-6-11(12)7-5-10/h4-8,13H,1-3H2 ChemAxon
InChIKey InChIKey=CFVUPEQWSFCCFT-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 23.85 ChemAxon
Refractivity 62.71 ChemAxon
Polarizability 18.94 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 8.52 ChemAxon
Physiological Charge 1 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

  • Amine oxidase [flavin-containing] B : in Human