1-Cyano-4-fluoronaphthalene

C₁₁H₆FNCAS 13916-99-9171.17 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₁₁H₆FN
Molar mass: 171.17 g/mol
Exact mass: 171.0484 Da
logP: 2.85Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed20% of notifiers
H302 Harmful if swallowed80% of notifiers
H311 Toxic in contact with skin20% of notifiers
H312 Harmful in contact with skin80% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled80% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13916-99-9

SMILES

C1=CC=C2C(=C1)C(=CC=C2F)C#N

InChIKey

XQSGYYNFKIQWAC-UHFFFAOYSA-N

InChI

InChI=1S/C11H6FN/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6H

Weigh it out

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

Work with 1-Cyano-4-fluoronaphthalene

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-Fluorobenzonitrile394-47-856 % similar 2,3,4-Trifluorobenzonitrile143879-80-555 % similar 4-Methoxy-1-naphthalenecarbonitrile5961-55-748 % similar 2,4-Difluoro-3-methylbenzonitrile847502-87-848 % similar 3-Chloro-2,4-difluorobenzonitrile887267-38-148 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-648 % similar 2,3-Difluorobenzonitrile21524-39-048 % similar 2,4-Difluorobenzonitrile3939-09-148 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook