2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene

C₁₈H₁₄BrFSCAS 1030825-20-7361.27 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₈H₁₄BrFS
Molar mass: 361.27 g/mol
Exact mass: 359.9984 Da
logP: 6.22Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1030825-20-7

SMILES

CC1=C(C=C(C=C1)Br)CC2=CC=C(S2)C3=CC=C(C=C3)F

InChIKey

VLRIERSBZHUCOW-UHFFFAOYSA-N

InChI

InChI=1S/C18H14BrFS/c1-12-2-5-15(19)10-14(12)11-17-8-9-18(21-17)13-3-6-16(20)7-4-13/h2-10H,11H2,1H3

Weigh it out

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Work with 2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)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-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene898566-17-172 % similar Canagliflozin842133-18-052 % similar Canagliflozin928672-86-052 % similar (2S,3R,4S,5S,6R)-2-(3-((5-(4-Fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-tetrahydro-6-(hydroxymethyl)-2-methoxy-2H-pyran-3,4,5-triol1358581-37-947 % similar (1S)-1,5-Anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucitol 2,3,4,6-tetraacetate866607-35-446 % similar 5-(4-Fluorophenyl)-3-methyl-2-thiophenecarbonitrile175137-39-038 % similar 2-(Bromomethyl)-4-fluoro-1-methylbenzene261951-71-738 % similar 4-Bromo-4'-fluoro-1,1'-biphenyl398-21-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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