3-(4-(Iodomethyl)phenyl)-3-(trifluoromethyl)-3H-diazirine

C₉H₆F₃IN₂CAS 95758-92-2326.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆F₃IN₂
Molar mass: 326.06 g/mol
Exact mass: 325.9528 Da
logP: 3.80Crippen estimate
Polar surface area: 24.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

95758-92-2

SMILES

C1=CC(=CC=C1CI)C2(N=N2)C(F)(F)F

InChIKey

NXZFAVYPSDBXKJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H6F3IN2/c10-9(11,12)8(14-15-8)7-3-1-6(5-13)2-4-7/h1-4H,5H2

Weigh it out

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Work with 3-(4-(Iodomethyl)phenyl)-3-(trifluoromethyl)-3H-diazirine

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

4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzyl Alcohol87736-88-763 % similar 4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid85559-46-245 % similar 4-(Trifluoromethyl)benzylamine3300-51-431 % similar 4-(Trifluoromethyl)benzenemethanol349-95-131 % similar 4-(Trifluoromethyl)benzyl bromide402-49-331 % similar 4-Trifluoromethylbenzyl chloride939-99-131 % similar

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

Elsewhere

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