3,4,5-Trifluorophenol

C₆H₃F₃OCAS 99627-05-1148.08 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

Danger

H301 Toxic if swallowed93.8% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H314 Causes severe skin burns and eye damage97.9% of notifiers
H411 Toxic to aquatic life with long lasting effects97.9% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, P501

Identifiers

CAS number

99627-05-1

SMILES

Oc1cc(F)c(F)c(F)c1

InChIKey

ZRTWIJKGTUGZJY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Phenol, 3,4,5-trifluoro-

Work with 3,4,5-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

4-Chloro-3,5-difluorophenol2268-03-359 % similar 3,4-Difluorophenol2713-33-959 % similar 4-Bromo-3,5-difluorophenol130191-91-257 % similar 2,3,5,6-Tetrafluorophenol769-39-155 % similar 1,2,3,5-Tetrafluorobenzene2367-82-052 % similar 4-Bromo-3-fluorophenol121219-03-250 % similar 2,6-Difluoro-4-hydroxybenzonitrile123843-57-250 % similar 4-Chloro-3-fluorophenol348-60-750 % 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 2,4,6-Trifluorophenol2268-17-9 2,3,4-Trifluorophenol2822-41-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook