chempirical

2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene

C18H14FISCAS 898566-17-1408.27 g/mol

Open in Covalent MOL file
IFS
Aryl halide

Properties

Molecular formula
C18H14FIS
Molar mass
408.27 g/mol
Exact mass
407.9845 Da
Melting point
109–110 °C
logP
6.06Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
898566-17-1
SMILES
Cc1ccc(I)cc1Cc1ccc(-c2ccc(F)cc2)s1
InChIKey
MGXZKAYHSITHMW-UHFFFAOYSA-N
InChI
InChI=1S/C18H14FIS/c1-12-2-7-16(20)10-14(12)11-17-8-9-18(21-17)13-3-5-15(19)6-4-13/h2-10H,11H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Thiophene, 2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]-
  • 2-(4-Fluorophenyl)-5-(5-iodo-2-methylbenzyl)thiophene
  • 5-(5-Iodo-2-methylbenzyl)-2-(4-fluorophenyl)thiophene
  • 2-(5-Iodo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene

Work with 2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene1030825-20-772 % similar Canagliflozin842133-18-053 % similar (1S)-1,5-Anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucitol 2,3,4,6-tetraacetate866607-35-447 % similar 5-(4-Fluorophenyl)-3-methyl-2-thiophenecarbonitrile175137-39-042 % similar 2-Fluoro-4-iodo-1-methylbenzene39998-81-736 % similar 2-(Bromomethyl)-4-fluoro-1-methylbenzene261951-71-736 % similar 1-Fluoro-4-iodobenzene352-34-135 % similar 4-Fluoro-2-iodo-1-methylbenzene13194-67-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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