chempirical

2,5-Bis(trifluoromethyl)-1,3,4-oxadiazole

C4F6N2OCAS 1868-48-0206.05 g/mol

Open in Covalent MOL file
NNOFFFFFF
Alkyl halide

Properties

Molecular formula
C4F6N2O
Molar mass
206.05 g/mol
Exact mass
205.9915 Da
logP
2.11Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

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
1868-48-0
SMILES
C1(=NN=C(O1)C(F)(F)F)C(F)(F)F
InChIKey
QJZONKZTJJLSQL-UHFFFAOYSA-N
InChI
InChI=1S/C4F6N2O/c5-3(6,7)1-11-12-2(13-1)4(8,9)10

Weigh it out

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

Work with 2,5-Bis(trifluoromethyl)-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

5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole723286-98-456 % similar 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine368-66-135 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook