5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole

C₄H₂ClF₃N₂OCAS 723286-98-4186.52 g/mol

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Properties

Molecular formula: C₄H₂ClF₃N₂O
Molar mass: 186.52 g/mol
Exact mass: 185.9808 Da
Boiling point: 55–60 °C (at 10 Torr)
logP: 1.83Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

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

723286-98-4

SMILES

FC(F)(F)c1nnc(CCl)o1

InChIKey

GPXSXZGMVOSWMN-UHFFFAOYSA-N

InChI

InChI=1S/C4H2ClF3N2O/c5-1-2-9-10-3(11-2)4(6,7)8/h1H2

Weigh it out

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

Names and synonyms

4 names

1,3,4-Oxadiazole, 2-(chloromethyl)-5-(trifluoromethyl)-
2-(Chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
2-Chloromethyl-5-trifluoromethyl-1,3,4-oxadiazole
5-(Chloromethyl)-2-(trifluoromethyl)-1,3,4-oxadiazole

Work with 5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole

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-Bis(trifluoromethyl)-1,3,4-oxadiazole1868-48-056 % similar 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole3914-42-945 % similar 2-Chloromethyl-5-(4-methylphenyl)-1,3,4-oxadiazole287197-95-936 % similar 5-tert-Butyl-2-(chloromethyl)oxazole224441-73-035 % similar 3,5-Bis(trifluoromethyl)benzyl chloride75462-59-832 % similar 5-(Chloromethyl)-2-(trifluoromethyl)pyridine386715-33-932 % similar 2-Trifluoromethylbenzyl chloride21742-00-731 % similar

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

Elsewhere

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