2-Fluoro-6-(4-methylbenzyloxy)benzonitrile

C₁₅H₁₂FNOCAS 175204-09-8241.27 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₁₅H₁₂FNO
Molar mass: 241.27 g/mol
Exact mass: 241.0903 Da
logP: 3.58Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175204-09-8

SMILES

CC1=CC=C(C=C1)COC2=C(C(=CC=C2)F)C#N

InChIKey

PYDSAKVFHVQAAD-UHFFFAOYSA-N

InChI

InChI=1S/C15H12FNO/c1-11-5-7-12(8-6-11)10-18-15-4-2-3-14(16)13(15)9-17/h2-8H,10H2,1H3

Weigh it out

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

Work with 2-Fluoro-6-(4-methylbenzyloxy)benzonitrile

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-Chlorophenyl)methoxy]-6-fluorobenzonitrile175204-10-174 % similar 2-Fluoro-6-(4-methylphenoxy)benzonitrile175204-08-765 % similar 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile119584-74-656 % similar 2-Fluoro-6-methoxybenzonitrile94088-46-755 % similar 2-Fluoro-6-phenoxybenzonitrile175204-06-550 % similar 2-Fluoro-6-methylbenzonitrile198633-76-048 % similar 2,6-Difluorobenzonitrile1897-52-547 % similar 2-Fluoro-6-(4-fluorophenoxy)benzonitrile175204-07-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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