chempirical

2,6-Bis(2,2,2-trifluoroethoxy)benzonitrile

C11H7F6NO2CAS 93624-57-8299.17 g/mol

Open in Covalent MOL file
OFFFNOFFF
Alkyl halideEtherNitrile

Properties

Molecular formula
C11H7F6NO2
Molar mass
299.17 g/mol
Exact mass
299.0381 Da
logP
3.44Crippen estimate
Polar surface area
42.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

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
93624-57-8
SMILES
C1=CC(=C(C(=C1)OCC(F)(F)F)C#N)OCC(F)(F)F
InChIKey
YVHZUTZJZUYWBO-UHFFFAOYSA-N
InChI
InChI=1S/C11H7F6NO2/c12-10(13,14)5-19-8-2-1-3-9(7(8)4-18)20-6-11(15,16)17/h1-3H,5-6H2

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Work with 2,6-Bis(2,2,2-trifluoroethoxy)benzonitrile

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-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile175204-04-382 % similar 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile119584-74-679 % similar 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile175204-13-462 % similar 2-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile175277-89-149 % similar 2,6-Dimethoxybenzonitrile16932-49-347 % similar 1,4-Bis(2,2,2-trifluoroethoxy)benzene66300-61-644 % similar 2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethyl methanesulfonate160969-03-943 % similar 2,6-Bis(trifluoromethyl)benzonitrile25753-25-743 % similar

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

Elsewhere

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