2-Fluoro-3-(trifluoromethyl)phenol

C₇H₄F₄OCAS 207291-85-8180.10 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

H302 Harmful if swallowed97.6% of notifiers
H312 Harmful in contact with skin97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.6% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

207291-85-8

SMILES

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

InChIKey

DOICLFHNNMXINV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-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

2-(Trifluoromethyl)phenol444-30-463 % similar 2-Chloro-3-(trifluoromethyl)phenol138377-34-160 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-559 % similar 3-Bromo-2-fluorobenzotrifluoride144584-67-857 % similar 2-Fluoro-3-(trifluoromethyl)aniline123973-25-155 % similar 2-Fluoro-3-(trifluoromethyl)benzeneboronic acid157834-21-455 % similar 2-Fluoro-3-(trifluoromethyl)benzyl alcohol207981-45-155 % similar 2,3-Difluorophenol6418-38-852 % 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 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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