chempirical

3-(Chloromethyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C10H6ClF3N2OCAS 175205-84-2262.62 g/mol

Open in Covalent MOL file
NNOClFFF
Alkyl halide

Properties

Molecular formula
C10H6ClF3N2O
Molar mass
262.62 g/mol
Exact mass
262.0121 Da
logP
3.49Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
0 / 3
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
175205-84-2
SMILES
C1=CC(=CC=C1C2=NC(=NO2)CCl)C(F)(F)F
InChIKey
IOVWIIJODVBCRC-UHFFFAOYSA-N
InChI
InChI=1S/C10H6ClF3N2O/c11-5-8-15-9(17-16-8)6-1-3-7(4-2-6)10(12,13)14/h1-4H,5H2

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

Work with 3-(Chloromethyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-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

3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole1201-68-962 % similar 3-(Chloromethyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole175205-61-543 % similar 2,4-Bis(trifluoromethyl)benzyl chloride195136-46-037 % similar 1,4-Bis(trifluoromethyl)benzene433-19-236 % similar 4-Fluorobenzotrifluoride402-44-835 % similar 3,5-Bis(trifluoromethyl)benzyl chloride75462-59-835 % similar 3-(Trifluoromethyl)benzyl chloride705-29-335 % similar Parachlorobenzotrifluoride98-56-634 % similar

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

Same formula

3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole175205-63-7

Elsewhere

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