2,4,6-Trifluorophenol

C₆H₃F₃OCAS 2268-17-9148.08 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₃F₃O
Molar mass: 148.08 g/mol
Exact mass: 148.0136 Da
logP: 1.81Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed95.6% of notifiers
H312 Harmful in contact with skin95.6% of notifiers
H315 Causes skin irritation91.1% of notifiers
H319 Causes serious eye irritation91.1% of notifiers
H332 Harmful if inhaled86.7% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 45 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

2268-17-9

SMILES

Oc1c(F)cc(F)cc1F

InChIKey

QQFWMPUXPLBWTG-UHFFFAOYSA-N

InChI

InChI=1S/C6H3F3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

Weigh it out

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

Names and synonyms

1 names

Phenol, 2,4,6-trifluoro-

Work with 2,4,6-Trifluorophenol

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-Amino-4,6-difluorophenol133788-83-767 % similar 2-Bromo-4,6-difluorophenol98130-56-467 % similar 4-Bromo-2,6-difluorophenol104197-13-957 % similar 4-Amino-2,6-difluorophenol126058-97-757 % similar 4-Chloro-2,6-difluorophenol164790-68-557 % similar 3,5-Difluoro-4-hydroxybenzaldehyde118276-06-556 % similar 2,4-Difluoro-6-nitrophenol364-31-855 % similar 1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-one140675-42-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,6-Trifluorophenol113798-74-6 2,3,5-Trifluorophenol2268-15-7 2,4,5-Trifluorophenol2268-16-8 2,3,4-Trifluorophenol2822-41-5 3,4,5-Trifluorophenol99627-05-1

Elsewhere

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