1-(4-Fluoro-2-nitrophenyl)piperidine

C₁₁H₁₃FN₂O₂CAS 719-70-0224.24 g/mol

Open in Covalent MOL file

Aryl halide Nitro Tertiary amine

Properties

Molecular formula: C₁₁H₁₃FN₂O₂
Molar mass: 224.24 g/mol
Exact mass: 224.0961 Da
logP: 2.72Crippen estimate
Polar surface area: 46.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

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

719-70-0

SMILES

C1CCN(CC1)C2=C(C=C(C=C2)F)[N+](=O)[O-]

InChIKey

YSBDMNNCMGUEAL-UHFFFAOYSA-N

InChI

InChI=1S/C11H13FN2O2/c12-9-4-5-10(11(8-9)14(15)16)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2

Weigh it out

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

Work with 1-(4-Fluoro-2-nitrophenyl)piperidine

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

1-(4-Fluoro-2-nitrophenyl)pyrrolidine778-56-397 % similar N-[2-Nitro-4-(trifluoromethyl)phenyl]pyrrolidine40832-82-464 % similar 4-Fluoro-1,2-dinitrobenzene364-53-456 % similar 2,5-Difluoronitrobenzene364-74-953 % similar 2,4-Difluoronitrobenzene446-35-551 % similar 1-Chloro-4-fluoro-2-nitrobenzene345-17-550 % similar 4-Fluoro-1-iodo-2-nitrobenzene364-77-250 % similar 4-Fluoro-2-nitroaniline364-78-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook