3-Fluoro-4-(trifluoromethoxy)phenol

C₇H₄F₄O₂CAS 177596-38-2196.10 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether Phenol

Properties

Molecular formula: C₇H₄F₄O₂
Molar mass: 196.10 g/mol
Exact mass: 196.0147 Da
logP: 2.43Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed83.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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

177596-38-2

SMILES

C1=CC(=C(C=C1O)F)OC(F)(F)F

InChIKey

UTFSPWRTXCDUIJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F4O2/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3,12H

Weigh it out

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Work with 3-Fluoro-4-(trifluoromethoxy)phenol

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-Bromo-2-fluoro-1-(trifluoromethoxy)benzene105529-58-665 % similar 3-Fluoro-4-methoxyphenol452-11-961 % similar 3-Fluoro-4-(trifluoromethoxy)aniline1017779-69-959 % similar 3-Fluoro-4-(trifluoromethoxy)benzaldehyde473917-15-654 % similar 3,4-Difluorophenol2713-33-954 % similar 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-553 % similar 4-(Trifluoromethoxy)phenol828-27-353 % similar 6-Hydroxy-2,2,3,3-tetrafluoro-1,4-benzodioxane103467-50-153 % similar

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

Elsewhere

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