(S)-2-(3-Fluorophenyl)pyrrolidine

C₁₀H₁₂FNCAS 920274-04-0165.21 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
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

920274-04-0

SMILES

Fc1cccc([C@@H]2CCCN2)c1

InChIKey

OADZVVBVXBBMPW-JTQLQIEISA-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/t10-/m0/s1

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Names and synonyms

2 names

(2S)-2-(3-Fluorophenyl)pyrrolidine
Pyrrolidine, 2-(3-fluorophenyl)-, (2S)-

Work with (S)-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.

(R)-2-(3-Fluorophenyl)pyrrolidine920274-03-9Enantiomer 2-(3-Fluorophenyl)pyrrolidine298690-72-9Stereo not defined

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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