2-(3-Fluorophenyl)pyrrolidine

C₁₀H₁₂FNCAS 298690-72-9165.21 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₁₀H₁₂FN
Molar mass: 165.21 g/mol
Exact mass: 165.0954 Da
logP: 2.25Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

298690-72-9

SMILES

Fc1cccc(C2CCCN2)c1

InChIKey

OADZVVBVXBBMPW-UHFFFAOYSA-N

InChI

InChI=1S/C10H12FN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10,12H,2,5-6H2

Weigh it out

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

Names and synonyms

1 names

Pyrrolidine, 2-(3-fluorophenyl)-

Work with 2-(3-Fluorophenyl)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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-2-(3-Fluorophenyl)pyrrolidine920274-04-0Defined stereoisomer (R)-2-(3-Fluorophenyl)pyrrolidine920274-03-9Defined stereoisomer

Similar compounds

2-(3-Chlorophenyl)pyrrolidine298690-74-165 % similar 2-Phenylpyrrolidine1006-64-061 % similar 2-(3-Methoxyphenyl)pyrrolidine103861-77-458 % similar (2R)-2-(2,5-Difluorophenyl)pyrrolidine1218935-59-157 % similar 2-Phenylpiperidine3466-80-655 % similar (R)-2-(2,5-Difluorophenyl)pyrrolidine hydrochloride1218935-60-453 % similar 2-(4-Chlorophenyl)pyrrolidine38944-14-851 % similar (±)-Nornicotine5746-86-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-2-(4-Fluorophenyl)pyrrolidine298690-89-8 (S)-2-(4-Fluorophenyl)pyrrolidine298690-90-1 2-(2-Fluorophenyl)pyrrolidine72216-04-7 2-(4-Fluorophenyl)pyrrolidine72216-06-9

Elsewhere

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