3,4'-Bis(trifluoromethyl)benzhydrol

C₁₅H₁₀F₆OCAS 203915-48-4320.23 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₁₅H₁₀F₆O
Molar mass: 320.23 g/mol
Exact mass: 320.0636 Da
logP: 4.81Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 6 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

203915-48-4

SMILES

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

InChIKey

DEIGXBAZAOVYHC-UHFFFAOYSA-N

InChI

InChI=1S/C15H10F6O/c16-14(17,18)11-6-4-9(5-7-11)13(22)10-2-1-3-12(8-10)15(19,20)21/h1-8,13,22H

Weigh it out

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Work with 3,4'-Bis(trifluoromethyl)benzhydrol

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

3-(Trifluoromethyl)benzhydrol728-80-384 % similar 4-(Trifluoromethyl)benzhydrol395-23-374 % similar Alpha-methyl-3-(trifluoromethyl)benzyl alcohol454-91-158 % similar 3,3',5,5'-Tetrakis(trifluoromethyl)benzhydrol87901-76-656 % similar 1-((3-Trifluoromethyl)phenyl)propanol-1618-97-354 % similar (R)-1-[3-(Trifluoromethyl)phenyl]ethylamine127852-30-650 % similar 3,5-Bis(trifluoromethyl)benzene402-31-350 % similar α-Methyl-4-(trifluoromethyl)benzenemethanol1737-26-447 % similar

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

Elsewhere

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