1,4-Bis(2,2,2-trifluoroethoxy)benzene

C10H8F6O2CAS 66300-61-6274.16 g/mol

Open in Covalent MOL file
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Alkyl halideEther

Properties

Molecular formula
C10H8F6O2
Molar mass
274.16 g/mol
Exact mass
274.0428 Da
Melting point
70 °C
logP
3.57Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
66300-61-6
SMILES
FC(F)(F)COc1ccc(OCC(F)(F)F)cc1
InChIKey
ZHUBFESHPMGIDZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H8F6O2/c11-9(12,13)5-17-7-1-2-8(4-3-7)18-6-10(14,15)16/h1-4H,5-6H2

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Names and synonyms

1 names
  • Benzene, 1,4-bis(2,2,2-trifluoroethoxy)-

Work with 1,4-Bis(2,2,2-trifluoroethoxy)benzene

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-(2,2,2-Trifluoroethoxy)benzeneboronic acid886536-37-467 % similar 2,5-Bis(2,2,2-trifluoroethoxy)benzoic acid35480-52-547 % similar 2,6-Bis(2,2,2-trifluoroethoxy)benzonitrile93624-57-844 % similar 4-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]-1,2,3-thiadiazole175205-47-744 % similar 2,5-Bis(2,2,2-trifluoroethoxy)benzoic acid hydrazide50778-75-144 % similar 1,1′-Oxybis[2,2,2-trifluoroethane]333-36-843 % similar 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile119584-74-638 % similar 2-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile175277-89-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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