(+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol

C₁₆H₁₁F₃OCAS 60646-30-2276.26 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₁₆H₁₁F₃O
Molar mass: 276.26 g/mol
Exact mass: 276.0762 Da
Melting point: 135–136 °C
logP: 4.59Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

60646-30-2

SMILES

O[C@@H](c1c2ccccc2cc2ccccc12)C(F)(F)F

InChIKey

ICZHJFWIOPYQCA-HNNXBMFYSA-N

InChI

InChI=1S/C16H11F3O/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15,20H/t15-/m0/s1

Weigh it out

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

Names and synonyms

14 names · show all

9-Anthracenemethanol, α-(trifluoromethyl)-, (αS)-
9-Anthracenemethanol, α-(trifluoromethyl)-, (S)-
(αS)-α-(Trifluoromethyl)-9-anthracenemethanol
Pirkle's alcohol
(S)-(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol
(S)-2,2,2-Trifluoro-1-(9-anthracenyl)ethanol
(+)-1-(9-Anthryl)-2,2,2-trifluoroethanol
(S)-1-(9-Anthryl)-2,2,2-trifluoro-1-ethanol
(S)-1-(Anthracen-9-yl)-2,2,2-trifluoroethanol
(S)-1-(Anthracen-10-yl)-2,2,2-trifluoroethanol
(S)-2,2,2-Trifluoro-1-(9-anthryl)ethanol
(S)-1-(9-Anthryl)-2,2,2-trifluoroethanol
(1S)-1-(9-Anthryl)-2,2,2-trifluoroethanol
(1S)-1-Anthracen-9-yl-2,2,2-trifluoroethanol

Work with (+)-2,2,2-Trifluoro-1-(9-anthryl)ethanol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(-)-2,2,2-Trifluoro-1-(9-anthryl)ethanol53531-34-3Enantiomer

Similar compounds

(-)-2,2,2-Trifluoro-1-phenylethanol10531-50-750 % similar (S)-Alpha-(Trifluoromethyl)benzyl alcohol340-04-550 % similar (S)-Alpha-(Trifluoromethyl)benzyl alcohol340-05-650 % similar (+)-2,2,2-Trifluoro-1-phenylethanol340-06-750 % similar 9,9′-Bianthryl1055-23-840 % similar 9-Anthraceneboronic acid100622-34-237 % similar 9-Anthracenemethanol1468-95-737 % similar 9-(Naphthalen-1-yl)anthracene7424-70-637 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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