1-(Trifluoromethoxy)-4-(trifluoromethyl)benzene

C₈H₄F₆OCAS 80258-33-9230.11 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₈H₄F₆O
Molar mass: 230.11 g/mol
Exact mass: 230.0166 Da
logP: 3.60Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
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

80258-33-9

SMILES

C1=CC(=CC=C1C(F)(F)F)OC(F)(F)F

InChIKey

PNJSCLOFYSBUMK-UHFFFAOYSA-N

InChI

InChI=1S/C8H4F6O/c9-7(10,11)5-1-3-6(4-2-5)15-8(12,13)14/h1-4H

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Names and synonyms

1 names

4-(Trifluoromethoxy)benzotrifluoride

Work with 1-(Trifluoromethoxy)-4-(trifluoromethyl)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

1-Fluoro-4-(trifluoromethoxy)benzene352-67-058 % similar 1,4-Bis(trifluoromethyl)benzene433-19-257 % similar (Trifluoromethoxy)benzene456-55-356 % similar 1-Iado-4-(trifluoromethoxy)benzene103962-05-656 % similar 4-(Trifluoromethoxy)thiophenol169685-29-456 % similar 1-Methoxy-4-(trifluoromethyl)benzene402-52-856 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-756 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-456 % similar

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

Same formula

3,5-Bis(trifluoromethyl)phenol349-58-6

Elsewhere

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