1-(Phenylmethoxy)-3-(trifluoromethyl)benzene

C14H11F3OCAS 70097-64-2252.24 g/mol

Open in Covalent MOL file
FFFO
Alkyl halideEther

Properties

Molecular formula
C14H11F3O
Molar mass
252.24 g/mol
Exact mass
252.0762 Da
Melting point
62–64 °C
logP
4.28Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
70097-64-2
SMILES
FC(F)(F)c1cccc(OCc2ccccc2)c1
InChIKey
KFUXJOLIPMQFEL-UHFFFAOYSA-N
InChI
InChI=1S/C14H11F3O/c15-14(16,17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1-(phenylmethoxy)-3-(trifluoromethyl)-
  • 1-Trifluoromethyl-3-(phenylmethoxy)benzene
  • 1-(Benzyloxy)-3-(trifluoromethyl)benzene
  • 1-Benzyloxy-3-trifluoromethylbenzene

Work with 1-(Phenylmethoxy)-3-(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

1,3-Dibenzyloxybenzene3769-42-465 % similar 3-(Trifluoromethyl)phenoxyacetonitrile2145-31-561 % similar Benzyl phenyl ether946-80-555 % similar 3-Iodobenzyloxybenzene107623-21-254 % similar 3-(Benzyloxy)aniline1484-26-054 % similar 3-(Phenylmethoxy)benzenemethanol1700-30-754 % similar 3-Benzyloxybenzyl bromide1700-31-854 % similar Benzyl 3-hydroxyphenyl ether3769-41-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Trifluoromethyl)benzhydrol395-23-3 2-(Trifluoromethyl)benzhydrol727-98-0 3-(Trifluoromethyl)benzhydrol728-80-3

Elsewhere

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