2-Fluoro-5-(trifluoromethyl)phenol

C₇H₄F₄OCAS 141483-15-0180.10 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

Warning

H226 Flammable liquid and vapor97.9% of notifiers
H302 Harmful if swallowed97.9% of notifiers
H312 Harmful in contact with skin87.2% of notifiers
H315 Causes skin irritation91.5% of notifiers
H319 Causes serious eye irritation89.4% of notifiers
H332 Harmful if inhaled97.9% of notifiers
H335 May cause respiratory irritation89.4% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

141483-15-0

SMILES

C1=CC(=C(C=C1C(F)(F)F)O)F

InChIKey

MCOSBFKOUQAIJS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Fluoro-5-(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

1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-263 % similar 2-Bromo-5-(trifluoromethyl)phenol402-05-158 % similar 2-Chloro-5-(trifluoromethyl)phenol40889-91-658 % similar 2-Amino-5-(trifluoromethyl)phenol454-82-058 % similar 2-Fluoro-5-(trifluoromethyl)aniline535-52-455 % similar 3-Bromo-4-fluorobenzotrifluoride68322-84-955 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-655 % similar 2-Fluoro-5-(trifluoromethyl)benzyl alcohol207974-09-255 % 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 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 1-Fluoro-4-(trifluoromethoxy)benzene352-67-0

Elsewhere

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