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

C₁₄H₁₁F₃OCAS 70097-64-2252.24 g/mol

Open in Covalent MOL file

Alkyl halide Ether

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

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-Iodo-3-(phenylmethoxy)benzene107623-21-254 % similar 3-(Benzyloxy)aniline1484-26-054 % similar 3-(Phenylmethoxy)benzenemethanol1700-30-754 % similar 3-Benzyloxybenzyl bromide1700-31-854 % similar 1-Benzyloxy-3-bromobenzene53087-13-154 % similar 1-Methoxy-3-(trifluoromethyl)benzene454-90-053 % similar 3-(Phenylmethoxy)benzeneacetonitrile20967-96-851 % similar 3-Benzyloxyphenylboronic acid156682-54-150 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook