4-Fluoro-3-(trifluoromethyl)phenol

C₇H₄F₄OCAS 61721-07-1180.10 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Phenol

Properties

Molecular formula: C₇H₄F₄O
Molar mass: 180.10 g/mol
Exact mass: 180.0198 Da
logP: 2.55Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H332 Harmful if inhaledAcute toxicity, inhalation
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 604-080-00-3), via PubChem.

Precautionary statements

P260, P261, P264, P271, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P391, P405, P501

Identifiers

CAS number

61721-07-1

SMILES

Oc1ccc(F)c(C(F)(F)F)c1

InChIKey

DHPCRFYUUWAGAH-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F4O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H

Weigh it out

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

Names and synonyms

2 names

Phenol, 4-fluoro-3-(trifluoromethyl)-
4-Fluoro-3-trifluoromethylphenol

Work with 4-Fluoro-3-(trifluoromethyl)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

5-Bromo-2-fluorobenzotrifluoride393-37-360 % similar 1,4-Difluoro-2-(trifluoromethyl)benzene393-38-459 % similar 4-Bromo-3-(trifluoromethyl)phenol320-49-058 % similar 4-Chloro-3-(trifluoromethyl)phenol6294-93-558 % similar 3,4-Difluorophenol2713-33-956 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-355 % similar 4-Chloro-1-fluoro-2-(trifluoromethyl)benzene89634-74-255 % similar B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid182344-23-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoromethoxy)fluorobenzene1077-01-6 4-Fluoro-2-(trifluoromethyl)phenol130047-19-7 2-Fluoro-5-(trifluoromethyl)phenol141483-15-0 3-Fluoro-5-(trifluoromethyl)phenol172333-87-8 2-Fluoro-3-(trifluoromethyl)phenol207291-85-8 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-5 2,3,5,6-Tetrafluoroanisole2324-98-3 5-Fluoro-2-(trifluoromethyl)phenol243459-91-8

Elsewhere

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