2-[4-(Trifluoromethyl)phenyl]pyrrolidine

C₁₁H₁₂F₃NCAS 298690-84-3215.22 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine

Properties

Molecular formula: C₁₁H₁₂F₃N
Molar mass: 215.22 g/mol
Exact mass: 215.0922 Da
logP: 3.13Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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

298690-84-3

SMILES

FC(F)(F)c1ccc(C2CCCN2)cc1

InChIKey

GSOGADJIIMVREB-UHFFFAOYSA-N

InChI

InChI=1S/C11H12F3N/c12-11(13,14)9-5-3-8(4-6-9)10-2-1-7-15-10/h3-6,10,15H,1-2,7H2

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Names and synonyms

1 names

Pyrrolidine, 2-[4-(trifluoromethyl)phenyl]-

Work with 2-[4-(Trifluoromethyl)phenyl]pyrrolidine

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

(R)-2-(4-Fluorophenyl)pyrrolidine298690-89-861 % similar (S)-2-(4-Fluorophenyl)pyrrolidine298690-90-161 % similar 2-(4-Fluorophenyl)pyrrolidine72216-06-961 % similar 2-Phenylpyrrolidine1006-64-056 % similar 2-(4-Bromophenyl)pyrrolidine383127-22-856 % similar 2-(4-Chlorophenyl)pyrrolidine38944-14-856 % similar 4-(Pyrrolidin-2-yl)pyridine128562-25-453 % similar 2-(4-Methoxy-phenyl)-pyrrolidine74190-66-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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