(S)-1-(5-Fluoro-2-iodophenyl)ethan-1-ol

C₈H₈FIOCAS 1454847-96-1266.05 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₈H₈FIO
Molar mass: 266.05 g/mol
Exact mass: 265.9604 Da
logP: 2.48Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1454847-96-1

SMILES

C[C@@H](C1=C(C=CC(=C1)F)I)O

InChIKey

GQGBQRLYBYFVAW-YFKPBYRVSA-N

InChI

InChI=1S/C8H8FIO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5,11H,1H3/t5-/m0/s1

Weigh it out

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

Work with (S)-1-(5-Fluoro-2-iodophenyl)ethan-1-ol

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

3-Fluoro-α-methylbenzenemethanol402-63-149 % similar (R)-1-(4-Fluorophenyl)ethanol101219-68-548 % similar (-)-1-(4-Fluorophenyl)ethanol101219-73-248 % similar 5-Fluoro-2-iodotoluene28490-56-448 % similar 1-(4-Fluorophenyl)ethanol403-41-848 % similar 4-Fluoro-1-iodo-2-methylbenzene66256-28-848 % similar 2,4-Difluoro-1-iodobenzene2265-93-245 % similar 4-Fluoro-2-iodo-1-methylbenzene13194-67-744 % similar

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

Elsewhere

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