4,4',4''-Trifluorotrityl alcohol

C₁₉H₁₃F₃OCAS 379-57-7314.31 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₁₉H₁₃F₃O
Molar mass: 314.31 g/mol
Exact mass: 314.0918 Da
logP: 4.39Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Warning

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

Aggregated from the 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

379-57-7

SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O)F

InChIKey

JALVMPWRAMMHQY-UHFFFAOYSA-N

InChI

InChI=1S/C19H13F3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H

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Work with 4,4',4''-Trifluorotrityl alcohol

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-(4-Fluorophenyl)-2-propanol402-41-556 % similar 4-Fluorobenzotrifluoride402-44-852 % similar 1-Fluoro-4-(trichloromethyl)benzene402-42-650 % similar 1,4-Difluorobenzene540-36-350 % similar Triphenylmethanol76-84-650 % similar 4-(4-Fluorophenyl)piperidin-4-ol3888-65-147 % similar 4-Fluorophenol371-41-543 % similar 4,4′-Difluorobiphenyl398-23-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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