α,α-Bis(trifluoromethyl)benzenemethanol

C₉H₆F₆OCAS 718-64-9244.14 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₉H₆F₆O
Molar mass: 244.14 g/mol
Exact mass: 244.0323 Da
Density: 1.451 g/mL (at 20 °C)
Boiling point: 160 °C
logP: 3.00Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor97.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

718-64-9

SMILES

OC(c1ccccc1)(C(F)(F)F)C(F)(F)F

InChIKey

IZPIZCAYJQCTNG-UHFFFAOYSA-N

InChI

InChI=1S/C9H6F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6/h1-5,16H

Weigh it out

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

Names and synonyms

13 names · show all

Benzenemethanol, α,α-bis(trifluoromethyl)-
Benzyl alcohol, α,α-bis(trifluoromethyl)-
Hexafluoro-2-phenyl-2-propanol
1,1,1,3,3,3-Hexafluoro-2-phenyl-2-propanol
Bis(trifluoromethyl)phenylcarbinol
(2-Hydroxyhexafluoro-2-propyl)benzene
Bis(trifluoromethyl)benzyl alcohol
1,3-Bis(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)benzene
Hexafluoro-2-phenylisopropanol
1-Phenyl-2,2,2-trifluoro-1-trifluoromethylethanol
α,α-Bis(trifluoromethyl)benzyl alcohol
2-Phenyl-1,1,1,3,3,3-hexafluoropropan-2-ol
Alpha,alpha-Bis(trifluoromethyl)benzyl alcohol

Work with α,α-Bis(trifluoromethyl)benzenemethanol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol722-92-959 % similar 1,1,1-Trifluoro-2-phenyl-3-butyn-2-ol99727-20-548 % similar (1-Chloro-2,2,2-trifluoro-1-trifluoromethyl-ethyl)-benzene16878-50-548 % similar Benzopinacol464-72-246 % similar Triphenylmethanol76-84-646 % similar Trifluorotoluene98-08-846 % similar 1,1,4,4-Tetraphenyl-2-butyne-1,4-diol1483-74-541 % similar 1,1-Diphenylethanol599-67-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4-Bis(trifluoromethyl)benzyl alcohol143158-15-0 2,5-Bis(trifluoromethyl)benzyl alcohol302911-97-3 3,5-Bis(trifluoromethyl)benzenemethanol32707-89-4 3,5-Bis(trifluoromethyl)anisole349-60-0

Elsewhere

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