Fluridone

C₁₉H₁₄F₃NOCAS 59756-60-4329.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₁₄F₃NO
Molar mass: 329.32 g/mol
Exact mass: 329.1027 Da
Melting point: 155 °C
pKa: 12.3
Water solubility: 12 mg/L
logP: 4.74Crippen estimate
Polar surface area: 22.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H311 Toxic in contact with skin80.2% of notifiers
H319 Causes serious eye irritation15.1% of notifiers
H411 Toxic to aquatic life with long lasting effects97.7% of notifiers

Aggregated from 86 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P262, P264, P264+P265, P270, P273, P280, P302+P352, P305+P351+P338, P316, P321, P337+P317, P361+P364, P391, P405, P501

Identifiers

CAS number

59756-60-4

SMILES

Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1

InChIKey

YWBVHLJPRPCRSD-UHFFFAOYSA-N

InChI

InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3

Weigh it out

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Names and synonyms

4 names

4(1H)-Pyridinone, 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-
1-Methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-4(1H)-pyridinone
EL 171
Sonar

Work with Fluridone

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'-Trifluoromethylbiphenyl-2-ylamine365-06-047 % similar 1-Methyl-3-(trifluoromethyl)benzene401-79-640 % similar 3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-540 % similar 3'-Trifluoromethylbiphenyl-4-carbaldehyde100036-64-440 % similar 3,5-Bis(trifluoromethyl)benzene402-31-339 % similar 5-(3-Trifluoromethyl-phenyl)-furan-2-carbaldehyde52130-30-039 % similar 3-(Trifluoromethyl)benzophenone728-81-438 % similar 3'-Trifluoromethylbiphenyl-3-carboxylic acid168619-05-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia